(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid

C15H12ClNO4 — CID 29046743

IUPAC(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H12ClNO4/c16-11-8-10(6-7-12(11)18)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyANLFDWQMDBDWAZ-ZDUSSCGKSA-N
MW305.72 g/mol
LogP2.60
Rot. Bonds4

About (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 29046743) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
PubChem CID29046743
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H12ClNO4/c16-11-8-10(6-7-12(11)18)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyANLFDWQMDBDWAZ-ZDUSSCGKSA-N
XLogP2.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
CID 114300062
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
3-chloro-4-hydroxy-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]benzamide
CID 95972136
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid (CID 29046743) is (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is ANLFDWQMDBDWAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-8-10(6-7-12(11)18)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 305.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 29046743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).