N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methylbenzamide

• ChemBase ID: 384267
• Molecular Formular: C26H26FNO2
• Molecular Mass: 403.4885432
• Monoisotopic Mass: 403.1947573
• SMILES: N(C(=O)c1ccc(cc1)C)(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(C1CC1)Cc1ccc(cc1)OCCc1ccc(cc1)F
• InChI: InChI=1S/C26H26FNO2/c1-19-2-8-22(9-3-19)26(29)28(24-12-13-24)18-21-6-14-25(15-7-21)30-17-16-20-4-10-23(27)11-5-20/h2-11,14-15,24H,12-13,16-18H2,1H3
• InChIKey: NTIZPIDOJPABKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methylbenzamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methylbenzamide
• Synonyms: N-cyclopropyl-N-{4-[2-(4-fluorophenyl)ethoxy]benzyl}-4-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9728622
• LogD (pH = 7.4): 5.9728622
• Log P: 5.9728622
• Molar Refractivity: 117.842 cm^3
• Polarizability: 44.677124 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 5.8
• LOG S: -6.84
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8