Molecular formula
C18H17ClFNO3

SMILES
CCOC(=O)[C@@H](C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

Fragrance
Grape	46.01%
Fruity	42.73%
Odorless	41.23%
Floral	33.64%
Neroli	26.73%
Citrus	25.63%
Sweet	23.54%
Milky	23.29%
Fatty	22.86%
Musk	21.92%

 

Flavor
Bitter	80.6%
Odorless	42.3%
Bland	26.36%
Mild	22.51%
Fruity	20.79%
Sweet-like	20.31%
Orange flower	19.08%
Very mild	19.06%
Nitrile	19.03%
Heather	18.51%

 

Odor impact est.
Low

XLogP3-AA
3.6

pKa est.
6.31 (neutral)

Molecular weight
349.8 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
407°C

Flash point

• 176.11 ˚C est.

ethyl (2R)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate is commonly used in pharmaceutical research as a chiral building block and an N-benzoyl protected amino acid derivative, typically serving as a precursor for the synthesis of active pharmaceutical ingredients and peptidomimetics. In medicinal chemistry, it provides a protected amino acid scaffold for constructing chiral amine compounds and for exploring structure-activity relationships. It also participates in asymmetric synthesis workflows, where its chirality and functional groups can be leveraged as a starting material or chiral auxiliary/ligand precursor. In chemical manufacturing, it acts as a precursor for producing arylalanine-derived compounds and related intermediates used in drug discovery pipelines. Additionally, in agrochemical research, such aryl-substituted amino acid derivatives may be evaluated as building blocks for novel agrochemicals, subject to formulation and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	65.79
methanol	80.29
isopropanol	40.32
water	0.06
ethyl acetate	333.5
n-propanol	68.55
acetone	388.26
n-butanol	63.28
acetonitrile	336.64
DMF	287.1
toluene	249.91
isobutanol	47.01
1,4-dioxane	319.96
methyl acetate	337.56
THF	502.67
2-butanone	353.8
n-pentanol	66.04
sec-butanol	72.33
n-hexane	3.09
ethylene glycol	7.99
NMP	247.31
cyclohexane	10.95
DMSO	282.95
n-butyl acetate	135.52
n-octanol	14.28
chloroform	898.05
n-propyl acetate	157.35
acetic acid	196.38
dichloromethane	1175.5
cyclohexanone	413.75
propylene glycol	11.24
isopropyl acetate	143.11
DMAc	512.35
2-ethoxyethanol	157.86
isopentanol	58.9
n-heptane	2.44
ethyl formate	153.12
1,2-dichloroethane	620.29
n-hexanol	39.15
2-methoxyethanol	175.95
isobutyl acetate	68.48
tetrachloromethane	47.43
n-pentyl acetate	73.16
transcutol	332.44
n-heptanol	23.92
ethylbenzene	84.89
MIBK	95.73
2-propoxyethanol	124.82
tert-butanol	57.61
MTBE	99.33
2-butoxyethanol	74.23
propionic acid	102.66
o-xylene	100.82
formic acid	65.0
diethyl ether	152.96
m-xylene	79.32
p-xylene	101.74
chlorobenzene	235.84
dimethyl carbonate	153.26
n-octane	1.46
formamide	178.44
cyclopentanone	424.05
2-pentanone	224.67
anisole	207.78
cyclopentyl methyl ether	161.36
gamma-butyrolactone	468.04
1-methoxy-2-propanol	104.97
pyridine	564.99
3-pentanone	223.75
furfural	442.05
n-dodecane	1.49
diethylene glycol	85.56
diisopropyl ether	27.03
tert-amyl alcohol	79.12
acetylacetone	350.58
n-hexadecane	1.77
acetophenone	219.72
methyl propionate	241.85
isopentyl acetate	99.42
trichloroethylene	1244.52
n-nonanol	16.83
cyclohexanol	92.95
benzyl alcohol	162.47
2-ethylhexanol	30.82
isooctanol	21.93
dipropyl ether	50.44
1,2-dichlorobenzene	189.09
ethyl lactate	67.18
propylene carbonate	222.93
n-methylformamide	170.56
2-pentanol	41.64
n-pentane	2.88
1-propoxy-2-propanol	73.93
1-methoxy-2-propyl acetate	144.92
2-(2-methoxypropoxy) propanol	90.33
mesitylene	32.65
ε-caprolactone	299.64
p-cymene	29.55
epichlorohydrin	691.2
1,1,1-trichloroethane	343.77
2-aminoethanol	23.96
morpholine-4-carbaldehyde	317.58
sulfolane	330.23
2,2,4-trimethylpentane	3.38
2-methyltetrahydrofuran	309.24
n-hexyl acetate	74.09
isooctane	1.46
2-(2-butoxyethoxy)ethanol	109.47
sec-butyl acetate	103.76
tert-butyl acetate	126.15
decalin	6.11
glycerin	23.22
diglyme	269.43
acrylic acid	112.09
isopropyl myristate	30.42
n-butyric acid	135.86
acetyl acetate	236.67
di(2-ethylhexyl) phthalate	42.38
ethyl propionate	156.84
nitromethane	617.95
1,2-diethoxyethane	146.16
benzonitrile	217.37
trioctyl phosphate	23.15
1-bromopropane	213.75
gamma-valerolactone	485.5
n-decanol	14.02
triethyl phosphate	59.9
4-methyl-2-pentanol	24.01
propionitrile	193.91
vinylene carbonate	236.66
1,1,2-trichlorotrifluoroethane	302.18
DMS	128.67
cumene	38.09
2-octanol	16.42
2-hexanone	151.26
octyl acetate	41.08
limonene	38.74
1,2-dimethoxyethane	319.83
ethyl orthosilicate	52.32
tributyl phosphate	33.0
diacetone alcohol	119.84
N,N-dimethylaniline	97.9
acrylonitrile	289.3
aniline	206.84
1,3-propanediol	49.24
bromobenzene	258.29
dibromomethane	592.06
1,1,2,2-tetrachloroethane	678.16
2-methyl-cyclohexyl acetate	76.84
tetrabutyl urea	48.92
diisobutyl methanol	18.71
2-phenylethanol	105.8
styrene	127.6
dioctyl adipate	60.31
dimethyl sulfate	198.99
ethyl butyrate	119.48
methyl lactate	82.1
butyl lactate	56.3
diethyl carbonate	94.91
propanediol butyl ether	47.08
triethyl orthoformate	71.69
p-tert-butyltoluene	24.3
methyl 4-tert-butylbenzoate	102.14
morpholine	313.61
tert-butylamine	29.69
n-dodecanol	11.45
dimethoxymethane	262.18
ethylene carbonate	188.34
cyrene	122.59
2-ethoxyethyl acetate	148.24
2-ethylhexyl acetate	79.69
1,2,4-trichlorobenzene	224.51
4-methylpyridine	490.64
dibutyl ether	37.07
2,6-dimethyl-4-heptanol	18.71
DEF	257.12
dimethyl isosorbide	173.4
tetrachloroethylene	412.69
eugenol	101.76
triacetin	118.13
span 80	61.5
1,4-butanediol	28.87
1,1-dichloroethane	425.09
2-methyl-1-pentanol	71.88
methyl formate	168.29
2-methyl-1-butanol	66.91
n-decane	2.15
butyronitrile	159.53
3,7-dimethyl-1-octanol	20.99
1-chlorooctane	14.25
1-chlorotetradecane	7.18
n-nonane	1.78
undecane	1.74
tert-butylcyclohexane	4.25
cyclooctane	2.18
cyclopentanol	82.4
tetrahydropyran	310.05
tert-amyl methyl ether	90.53
2,5,8-trioxanonane	192.83
1-hexene	30.07
2-isopropoxyethanol	105.3
2,2,2-trifluoroethanol	89.79
methyl butyrate	189.76

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