ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate

C18H17ClFNO3 — CID 7310515

IUPACethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO3/c1-2-24-17(22)11-16(12-7-3-5-9-14(12)19)21-18(23)13-8-4-6-10-15(13)20/h3-10,16H,2,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeySUOHDFKHJZDNJZ-INIZCTEOSA-N
MW349.79 g/mol
LogP3.90
Rot. Bonds6

About ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate

ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate (PubChem CID 7310515) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
PubChem CID7310515
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Nameethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO3/c1-2-24-17(22)11-16(12-7-3-5-9-14(12)19)21-18(23)13-8-4-6-10-15(13)20/h3-10,16H,2,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeySUOHDFKHJZDNJZ-INIZCTEOSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate
CID 7044452
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 51276559
ethyl 3-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]propanoate
CID 3500654
propan-2-yl 3-(2-chlorophenyl)-3-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 43038135
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
ethyl (3S)-3-(2-chlorophenyl)-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoate
CID 2139759
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate?
The IUPAC name of ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate (CID 7310515) is ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate?
The canonical SMILES for ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate is CCOC(=O)C[C@H](NC(=O)c1ccccc1F)c1ccccc1Cl.
What is the InChIKey of ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate?
The InChIKey is SUOHDFKHJZDNJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-2-24-17(22)11-16(12-7-3-5-9-14(12)19)21-18(23)13-8-4-6-10-15(13)20/h3-10,16H,2,11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate?
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate has a molecular weight of 349.79 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 7310515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).