1-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)cyclopropane-1-carboxamide

• ChemBase ID: 480707
• Molecular Formular: C21H24FNO
• Molecular Mass: 325.4197632
• Monoisotopic Mass: 325.18419261
• SMILES: C1(C(=O)N(Cc2cc(ccc2)C)C(C)C)(CC1)c1c(F)cccc1
• Canonical SMILES: Cc1cccc(c1)CN(C(=O)C1(CC1)c1ccccc1F)C(C)C
• InChI: InChI=1S/C21H24FNO/c1-15(2)23(14-17-8-6-7-16(3)13-17)20(24)21(11-12-21)18-9-4-5-10-19(18)22/h4-10,13,15H,11-12,14H2,1-3H3
• InChIKey: GWHWRCZIQRBABL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(2-fluorophenyl)-N-isopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
• Synonyms: 1-(2-fluorophenyl)-N-isopropyl-N-(3-methylbenzyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0406575
• LogD (pH = 7.4): 5.0406575
• Log P: 5.0406575
• Molar Refractivity: 95.2921 cm^3
• Polarizability: 36.54301 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.48
• LOG S: -5.4
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5