3-(3-aminobenzoyl)benzoic acid

C14H11NO3 — CID 18974175

IUPAC3-(3-aminobenzoyl)benzoic acid
SMILESNc1cccc(C(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H11NO3/c15-12-6-2-4-10(8-12)13(16)9-3-1-5-11(7-9)14(17)18/h1-8H,15H2,(H,17,18)
InChIKeyRCMOGWAYNFFHIZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.20
Rot. Bonds3

About 3-(3-aminobenzoyl)benzoic acid

3-(3-aminobenzoyl)benzoic acid (PubChem CID 18974175) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(3-aminobenzoyl)benzoic acid.

Molecular Properties

Compound Name3-(3-aminobenzoyl)benzoic acid
PubChem CID18974175
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-(3-aminobenzoyl)benzoic acid
SMILESNc1cccc(C(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H11NO3/c15-12-6-2-4-10(8-12)13(16)9-3-1-5-11(7-9)14(17)18/h1-8H,15H2,(H,17,18)
InChIKeyRCMOGWAYNFFHIZ-UHFFFAOYSA-N
XLogP2.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminobenzoyl)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

Related Compounds

3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-aminobenzoic acid;azane
CID 159954068
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
3-(3-carboxybenzoyl)benzoic acid
CID 754396
3-aminobenzoic acid;prop-1-yne
CID 88718779
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
3-aminobenzoic acid;ethoxyethane
CID 70021717
CID 175726263
CID 175726263

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobenzoyl)benzoic acid?
The IUPAC name of 3-(3-aminobenzoyl)benzoic acid (CID 18974175) is 3-(3-aminobenzoyl)benzoic acid.
What is the SMILES notation for 3-(3-aminobenzoyl)benzoic acid?
The canonical SMILES for 3-(3-aminobenzoyl)benzoic acid is Nc1cccc(C(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(3-aminobenzoyl)benzoic acid?
The InChIKey is RCMOGWAYNFFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-12-6-2-4-10(8-12)13(16)9-3-1-5-11(7-9)14(17)18/h1-8H,15H2,(H,17,18).
What are the key properties of 3-(3-aminobenzoyl)benzoic acid?
3-(3-aminobenzoyl)benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobenzoyl)benzoic acid is sourced from PubChem (CID 18974175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).