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

C16H14ClNO3 — CID 103804548

IUPAC(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c1-10-9-12(7-8-13(10)17)15(19)18-14(16(20)21)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyHMFMLHSCXNSOMY-AWEZNQCLSA-N
MW303.75 g/mol
LogP3.20
Rot. Bonds4

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

(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 103804548) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
PubChem CID103804548
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c1-10-9-12(7-8-13(10)17)15(19)18-14(16(20)21)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyHMFMLHSCXNSOMY-AWEZNQCLSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid (CID 103804548) is (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid is Cc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1Cl.
What is the InChIKey of (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is HMFMLHSCXNSOMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-9-12(7-8-13(10)17)15(19)18-14(16(20)21)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).