4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid

C15H11F2NO3 — CID 62648639

IUPAC4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H11F2NO3/c16-12-3-1-2-11(13(12)17)14(19)18-8-9-4-6-10(7-5-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLAXNOXZQXLGRLQ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.59
Rot. Bonds4

About 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid

4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid (PubChem CID 62648639) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
PubChem CID62648639
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H11F2NO3/c16-12-3-1-2-11(13(12)17)14(19)18-8-9-4-6-10(7-5-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLAXNOXZQXLGRLQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid (CID 62648639) is 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid?
The InChIKey is LAXNOXZQXLGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-12-3-1-2-11(13(12)17)14(19)18-8-9-4-6-10(7-5-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid?
4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid has a molecular weight of 291.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 62648639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).