4-(benzamidomethyl)benzoic acid

C15H13NO3 — CID 10879683

IUPAC4-(benzamidomethyl)benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-14(12-4-2-1-3-5-12)16-10-11-6-8-13(9-7-11)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyGQKZUGCWGATKQZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.31
Rot. Bonds4

About 4-(benzamidomethyl)benzoic acid

4-(benzamidomethyl)benzoic acid (PubChem CID 10879683) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(benzamidomethyl)benzoic acid.

Molecular Properties

Compound Name4-(benzamidomethyl)benzoic acid
PubChem CID10879683
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(benzamidomethyl)benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-14(12-4-2-1-3-5-12)16-10-11-6-8-13(9-7-11)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyGQKZUGCWGATKQZ-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447

Frequently Asked Questions

What is the IUPAC name of 4-(benzamidomethyl)benzoic acid?
The IUPAC name of 4-(benzamidomethyl)benzoic acid (CID 10879683) is 4-(benzamidomethyl)benzoic acid.
What is the SMILES notation for 4-(benzamidomethyl)benzoic acid?
The canonical SMILES for 4-(benzamidomethyl)benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzamidomethyl)benzoic acid?
The InChIKey is GQKZUGCWGATKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(12-4-2-1-3-5-12)16-10-11-6-8-13(9-7-11)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(benzamidomethyl)benzoic acid?
4-(benzamidomethyl)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzamidomethyl)benzoic acid is sourced from PubChem (CID 10879683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).