2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 409352
• Molecular Formular: C28H29F2NO3
• Molecular Mass: 465.5315664
• Monoisotopic Mass: 465.21155023
• SMILES: C(=O)(N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C28H29F2NO3/c29-24-12-10-21(11-13-24)18-28(32)31(20-26-8-4-15-33-26)19-22-5-3-7-25(17-22)34-16-14-23-6-1-2-9-27(23)30/h1-3,5-7,9-13,17,26H,4,8,14-16,18-20H2
• InChIKey: RWJOWFNKFASQGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: 2-(4-fluorophenyl)-N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5353327
• LogD (pH = 7.4): 5.5353327
• Log P: 5.5353327
• Molar Refractivity: 128.1121 cm^3
• Polarizability: 49.013412 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.74
• LOG S: -6.84
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10