3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide

• ChemBase ID: 798154
• Molecular Formular: C18H15NO2
• Molecular Mass: 277.3172
• Monoisotopic Mass: 277.11027873
• SMILES: c1cc2c(cc1)cc(c(c2)C(=O)Nc1ccc(cc1)C)O
• Canonical SMILES: Cc1ccc(cc1)NC(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C18H15NO2/c1-12-6-8-15(9-7-12)19-18(21)16-10-13-4-2-3-5-14(13)11-17(16)20/h2-11,20H,1H3,(H,19,21)
• InChIKey: NBBZFRCZVJXXHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide
• Synonyms: 3-hydroxy-n-(4-methylphenyl)Naphthalene-2-carboxamide

Database IDs

• CAS Number: 3651-62-5

CALCULATED PROPERTIES

• Acid pKa: 7.699157
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.261748
• LogD (pH = 7.4): 4.0894346
• Log P: 4.2644634
• Molar Refractivity: 85.0638 cm^3
• Polarizability: 32.862816 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%