4-amino-N-(naphthalen-1-yl)benzamide

• ChemBase ID: 23388
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: C(=O)(Nc1c2c(ccc1)cccc2)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C17H14N2O/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,18H2,(H,19,20)
• InChIKey: PDCRUJGQDJKQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(naphthalen-1-yl)benzamide
• IUPAC Traditional name: 4-amino-N-(naphthalen-1-yl)benzamide
• Synonyms: 4-Amino-N-(1-naphthyl)benzamide

Database IDs

• MDL Number: MFCD00299044
• PubChem SID: 160986695
• PubChem CID: 720982

CALCULATED PROPERTIES

• Acid pKa: 12.161299
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2245586
• LogD (pH = 7.4): 3.22566
• Log P: 3.2256815
• Molar Refractivity: 82.7421 cm^3
• Polarizability: 31.656862 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false