2-(naphthalen-1-ylcarbamoyl)benzoic acid

C18H13NO3 — CID 8594

IUPAC2-(naphthalen-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
InChIKeyJXTHEWSKYLZVJC-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.79
Rot. Bonds3

About 2-(naphthalen-1-ylcarbamoyl)benzoic acid

2-(naphthalen-1-ylcarbamoyl)benzoic acid (PubChem CID 8594) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(naphthalen-1-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylcarbamoyl)benzoic acid
PubChem CID8594
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-(naphthalen-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
InChIKeyJXTHEWSKYLZVJC-UHFFFAOYSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(naphthalen-1-ylcarbamoyl)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-(naphthalen-1-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(naphthalen-1-ylcarbamoyl)benzoic acid (CID 8594) is 2-(naphthalen-1-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(naphthalen-1-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylcarbamoyl)benzoic acid?
The InChIKey is JXTHEWSKYLZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 2-(naphthalen-1-ylcarbamoyl)benzoic acid?
2-(naphthalen-1-ylcarbamoyl)benzoic acid has a molecular weight of 291.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 8594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).