N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide

• ChemBase ID: 408961
• Molecular Formular: C24H28FNO3
• Molecular Mass: 397.4824232
• Monoisotopic Mass: 397.20532198
• SMILES: N(C(=O)C1CC1)(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1)C1CC1
• InChI: InChI=1S/C24H28FNO3/c25-23-9-2-1-6-19(23)12-14-29-21-7-3-5-18(15-21)16-26(24(27)20-10-11-20)17-22-8-4-13-28-22/h1-3,5-7,9,15,20,22H,4,8,10-14,16-17H2
• InChIKey: NFKTZAXISMZQFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.338087
• LogD (pH = 7.4): 4.338087
• Log P: 4.338087
• Molar Refractivity: 110.573 cm^3
• Polarizability: 42.71588 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.39
• LOG S: -5.32
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9