3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid

C17H16ClNO4 — CID 2947012

IUPAC3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-23-14-8-4-12(5-9-14)17(22)19-15(10-16(20)21)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyUJYQXDUESKLNIM-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.29
Rot. Bonds6

About 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid

3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid (PubChem CID 2947012) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
PubChem CID2947012
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-23-14-8-4-12(5-9-14)17(22)19-15(10-16(20)21)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyUJYQXDUESKLNIM-UHFFFAOYSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 45342248
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 5006095
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
(3S)-3-[(2-chloro-4-fluorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 51518916
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid (CID 2947012) is 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid is COc1ccc(C(=O)NC(CC(=O)O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid?
The InChIKey is UJYQXDUESKLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-23-14-8-4-12(5-9-14)17(22)19-15(10-16(20)21)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid?
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid has a molecular weight of 333.77 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 2947012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).