2-(benzylcarbamoyl)benzoic acid

C15H13NO3 — CID 2054808

IUPAC2-(benzylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyKZRGQINXYBJMNB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.31
Rot. Bonds4

About 2-(benzylcarbamoyl)benzoic acid

2-(benzylcarbamoyl)benzoic acid (PubChem CID 2054808) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(benzylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(benzylcarbamoyl)benzoic acid
PubChem CID2054808
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(benzylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyKZRGQINXYBJMNB-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

Analyze 2-(benzylcarbamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoyl)benzoic acid?
The IUPAC name of 2-(benzylcarbamoyl)benzoic acid (CID 2054808) is 2-(benzylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(benzylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(benzylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoyl)benzoic acid?
The InChIKey is KZRGQINXYBJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(benzylcarbamoyl)benzoic acid?
2-(benzylcarbamoyl)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 2-(benzylcarbamoyl)benzoic acid is sourced from PubChem (CID 2054808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).