N-(4-aminophenyl)-2-(naphthalen-1-yl)acetamide

• ChemBase ID: 22964
• Molecular Formular: C18H16N2O
• Molecular Mass: 276.33244
• Monoisotopic Mass: 276.12626314
• SMILES: C(=O)(Cc1c2c(ccc1)cccc2)Nc1ccc(N)cc1
• Canonical SMILES: O=C(Cc1cccc2c1cccc2)Nc1ccc(cc1)N
• InChI: InChI=1S/C18H16N2O/c19-15-8-10-16(11-9-15)20-18(21)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12,19H2,(H,20,21)
• InChIKey: UQWFJLLOSGAJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(naphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(naphthalen-1-yl)acetamide
• Synonyms: N-(4-Aminophenyl)-2-(1-naphthyl)acetamide

Database IDs

• MDL Number: MFCD09803497
• PubChem SID: 160986271
• PubChem CID: 20120083

CALCULATED PROPERTIES

• Acid pKa: 15.599351
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.191872
• LogD (pH = 7.4): 3.205668
• Log P: 3.2058468
• Molar Refractivity: 86.7935 cm^3
• Polarizability: 33.52526 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false