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

C16H14FNO3 — CID 30045725

IUPAC(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C16H14FNO3/c1-10-7-8-12(9-13(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
InChIKeyPFVLXNAJPMTKDU-AWEZNQCLSA-N
MW287.29 g/mol
LogP2.69
Rot. Bonds4

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

(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid (PubChem CID 30045725) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
PubChem CID30045725
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
SMILESCc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C16H14FNO3/c1-10-7-8-12(9-13(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
InChIKeyPFVLXNAJPMTKDU-AWEZNQCLSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic 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

(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
(2R)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]-2-phenylacetic acid
CID 119367801
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3,4-difluorobenzamide
CID 61121577
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid (CID 30045725) is (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid is Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid?
The InChIKey is PFVLXNAJPMTKDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-7-8-12(9-13(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-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid has a molecular weight of 287.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30045725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).