N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 424529
• Molecular Formular: C29H32FNO5
• Molecular Mass: 493.5664832
• Monoisotopic Mass: 493.22645135
• SMILES: C(=O)(N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1)c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C29H32FNO5/c1-33-26-16-23(17-27(18-26)34-2)29(32)31(20-25-10-6-13-35-25)19-21-7-5-9-24(15-21)36-14-12-22-8-3-4-11-28(22)30/h3-5,7-9,11,15-18,25H,6,10,12-14,19-20H2,1-2H3
• InChIKey: QVKFFFIZPLFQCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-3,5-dimethoxy-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0971227
• LogD (pH = 7.4): 5.0971227
• Log P: 5.0971227
• Molar Refractivity: 136.7707 cm^3
• Polarizability: 52.3401 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.92
• LOG S: -6.51
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9