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

• ChemBase ID: 566623
• Molecular Formular: C29H32FNO5
• Molecular Mass: 493.5664832
• Monoisotopic Mass: 493.22645135
• SMILES: N(C(=O)c1cc(c(cc1)OC)OC)(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC)C(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C29H32FNO5/c1-33-27-13-12-23(18-28(27)34-2)29(32)31(20-25-10-6-15-35-25)19-21-7-5-9-24(17-21)36-16-14-22-8-3-4-11-26(22)30/h3-5,7-9,11-13,17-18,25H,6,10,14-16,19-20H2,1-2H3
• InChIKey: FPFAXQHBYWTZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-3,4-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: 52.34097 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: 5.57
• LOG S: -6.11
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9