3-hydroxy-N-(naphthalen-1-yl)naphthalene-2-carboxamide

• ChemBase ID: 798101
• Molecular Formular: C21H15NO2
• Molecular Mass: 313.3493
• Monoisotopic Mass: 313.11027873
• SMILES: c1cc2c(cc1)cc(c(c2)C(=O)Nc1c2ccccc2ccc1)O
• Canonical SMILES: O=C(c1cc2ccccc2cc1O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)
• InChIKey: QGZGJNPVHADCFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(naphthalen-1-yl)naphthalene-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(naphthalen-1-yl)naphthalene-2-carboxamide
• Synonyms: 3-hydroxy-n-naphthalen-1-ylNaphthalene-2-carboxamide

Database IDs

• CAS Number: 132-68-3

CALCULATED PROPERTIES

• Acid pKa: 7.698408
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.7377987
• LogD (pH = 7.4): 4.565243
• Log P: 4.740519
• Molar Refractivity: 96.4728 cm^3
• Polarizability: 38.70242 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%