3-(benzamidomethyl)-2-fluorobenzoic acid

C15H12FNO3 — CID 175493024

IUPAC3-(benzamidomethyl)-2-fluorobenzoic acid
SMILESO=C(NCc1cccc(C(=O)O)c1F)c1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-11(7-4-8-12(13)15(19)20)9-17-14(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyFGUAVEQMBQWALF-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.45
Rot. Bonds4

About 3-(benzamidomethyl)-2-fluorobenzoic acid

3-(benzamidomethyl)-2-fluorobenzoic acid (PubChem CID 175493024) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-(benzamidomethyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-(benzamidomethyl)-2-fluorobenzoic acid
PubChem CID175493024
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-(benzamidomethyl)-2-fluorobenzoic acid
SMILESO=C(NCc1cccc(C(=O)O)c1F)c1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-11(7-4-8-12(13)15(19)20)9-17-14(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyFGUAVEQMBQWALF-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(benzamidomethyl)-2-fluorobenzoic 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

2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
S-[2-(benzamidomethyl)-6-fluorophenyl] benzenecarbothioate
CID 54339566
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
3-(benzamidomethyl)-5-bromo-2-hydroxybenzoic acid
CID 6610599
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidomethyl)-2-fluorobenzoic acid?
The IUPAC name of 3-(benzamidomethyl)-2-fluorobenzoic acid (CID 175493024) is 3-(benzamidomethyl)-2-fluorobenzoic acid.
What is the SMILES notation for 3-(benzamidomethyl)-2-fluorobenzoic acid?
The canonical SMILES for 3-(benzamidomethyl)-2-fluorobenzoic acid is O=C(NCc1cccc(C(=O)O)c1F)c1ccccc1.
What is the InChIKey of 3-(benzamidomethyl)-2-fluorobenzoic acid?
The InChIKey is FGUAVEQMBQWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-11(7-4-8-12(13)15(19)20)9-17-14(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-(benzamidomethyl)-2-fluorobenzoic acid?
3-(benzamidomethyl)-2-fluorobenzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidomethyl)-2-fluorobenzoic acid is sourced from PubChem (CID 175493024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).