2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid

C15H11ClFNO3 — CID 16771714

IUPAC2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c16-12-8-10(17)6-7-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyVKKIHFZZQAXIBR-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.03
Rot. Bonds4

About 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid

2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 16771714) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
PubChem CID16771714
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c16-12-8-10(17)6-7-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyVKKIHFZZQAXIBR-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2-chloro-4-fluoro-N'-phenylbenzohydrazide
CID 78774979
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid (CID 16771714) is 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is VKKIHFZZQAXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-12-8-10(17)6-7-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid?
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 307.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 16771714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).