2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid

C15H11F2NO3 — CID 16771570

IUPAC2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO3/c16-10-6-7-11(12(17)8-10)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyKVROTEHVDKIKCT-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid

2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 16771570) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
PubChem CID16771570
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO3/c16-10-6-7-11(12(17)8-10)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyKVROTEHVDKIKCT-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid (CID 16771570) is 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is KVROTEHVDKIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-6-7-11(12(17)8-10)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-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid?
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 16771570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).