(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid

C16H14ClNO3 — CID 104896991

IUPAC(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1ccc(Cl)cc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-10-7-8-12(17)9-13(10)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
InChIKeyJURBUWKSVWRDGP-AWEZNQCLSA-N
MW303.75 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 104896991) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
PubChem CID104896991
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1ccc(Cl)cc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-10-7-8-12(17)9-13(10)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
InChIKeyJURBUWKSVWRDGP-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

(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61143788
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid (CID 104896991) is (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid is Cc1ccc(Cl)cc1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is JURBUWKSVWRDGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-7-8-12(17)9-13(10)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-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(5-chloro-2-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-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 104896991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).