N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide

• ChemBase ID: 798158
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: c1cc2c(cc1)cc(c(c2)C(=O)Nc1ccc(cc1)NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)
• InChIKey: MSRUOXBBGPWHEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide
• IUPAC Traditional name: N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide
• Synonyms: n-(4-acetylaminophenyl)-3-hydroxyNaphthalene-2-carboxamide

Database IDs

• CAS Number: 41506-62-1

CALCULATED PROPERTIES

• Acid pKa: 7.6991353
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.9860368
• LogD (pH = 7.4): 2.8137167
• Log P: 2.9887524
• Molar Refractivity: 94.8856 cm^3
• Polarizability: 35.93036 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%