N-methyl-2-(naphthalen-1-yl)benzamide

• ChemBase ID: 680317
• Molecular Formular: C18H15NO
• Molecular Mass: 261.3178
• Monoisotopic Mass: 261.11536411
• SMILES: c1(c2c3c(ccc2)cccc3)c(C(=O)NC)cccc1
• Canonical SMILES: CNC(=O)c1ccccc1c1cccc2c1cccc2
• InChI: InChI=1S/C18H15NO/c1-19-18(20)17-11-5-4-10-16(17)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3,(H,19,20)
• InChIKey: XRIMNRVRGHIYCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(naphthalen-1-yl)benzamide
• IUPAC Traditional name: N-methyl-2-(naphthalen-1-yl)benzamide
• Synonyms: N-methyl-2-(1-naphthyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.367162
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6842642
• LogD (pH = 7.4): 3.6842642
• Log P: 3.6842642
• Molar Refractivity: 81.6195 cm^3
• Polarizability: 33.658924 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.46
• LOG S: -4.06
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2