N-(4-aminophenyl)-2-hydroxybenzamide

• ChemBase ID: 84103
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: N(c1ccc(cc1)N)C(=O)c1c(cccc1)O
• Canonical SMILES: Nc1ccc(cc1)NC(=O)c1ccccc1O
• InChI: InChI=1S/C13H12N2O2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h1-8,16H,14H2,(H,15,17)
• InChIKey: ACVACKIEZDGXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-hydroxybenzamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-hydroxybenzamide
• Synonyms: N1-(4-aminophenyl)-2-hydroxybenzamide

Database IDs

• CAS Number: 3679-65-0
• MDL Number: MFCD00047854
• PubChem SID: 162071219
• PubChem CID: 2781453

CALCULATED PROPERTIES

• Acid pKa: 7.930266
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.9227021
• LogD (pH = 7.4): 1.8212587
• Log P: 1.9326394
• Molar Refractivity: 68.2728 cm^3
• Polarizability: 24.679329 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true