N-(naphthalen-2-yl)-3-oxo-3-phenylpropanamide

• ChemBase ID: 58784
• Molecular Formular: C19H15NO2
• Molecular Mass: 289.3279
• Monoisotopic Mass: 289.11027873
• SMILES: c1ccc2c(c1)cc(cc2)NC(=O)CC(=O)c1ccccc1
• Canonical SMILES: O=C(CC(=O)c1ccccc1)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H15NO2/c21-18(15-7-2-1-3-8-15)13-19(22)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,20,22)
• InChIKey: DLMJDNNPONRGGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-2-yl)-3-oxo-3-phenylpropanamide
• IUPAC Traditional name: N-(naphthalen-2-yl)-3-oxo-3-phenylpropanamide
• Synonyms: N-2-Naphthyl-3-oxo-3-phenylpropanamide

Database IDs

• MDL Number: MFCD00712044
• PubChem SID: 162063547
• PubChem CID: 51342105

CALCULATED PROPERTIES

• Acid pKa: 11.523957
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8469
• LogD (pH = 7.4): 3.8468678
• Log P: 3.8469005
• Molar Refractivity: 87.5324 cm^3
• Polarizability: 34.254124 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false