N-(2-aminophenyl)benzamide

• ChemBase ID: 255369
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: C(=O)(Nc1c(N)cccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Nc1ccccc1N
• InChI: InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
• InChIKey: RFDVMOUXHKTCDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)benzamide
• IUPAC Traditional name: N-(2-aminophenyl)benzamide
• Synonyms: N-(2-aminophenyl)benzamide

Database IDs

• CAS Number: 721-47-1
• MDL Number: MFCD00034792
• PubChem SID: 164311279
• PubChem CID: 759408

CALCULATED PROPERTIES

• Acid pKa: 12.062104
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2334762
• LogD (pH = 7.4): 2.2361612
• Log P: 2.2362046
• Molar Refractivity: 66.2919 cm^3
• Polarizability: 24.084156 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.423

Product Information

• Purity: 95%