3-fluoro-N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 369713
• Molecular Formular: C26H25F2NO3
• Molecular Mass: 437.4784064
• Monoisotopic Mass: 437.18025011
• SMILES: N(C(=O)c1cc(F)ccc1)(Cc1ccc(OCc2cc(F)ccc2)cc1)CC1OCCC1
• Canonical SMILES: Fc1cccc(c1)COc1ccc(cc1)CN(C(=O)c1cccc(c1)F)CC1CCCO1
• InChI: InChI=1S/C26H25F2NO3/c27-22-6-1-4-20(14-22)18-32-24-11-9-19(10-12-24)16-29(17-25-8-3-13-31-25)26(30)21-5-2-7-23(28)15-21/h1-2,4-7,9-12,14-15,25H,3,8,13,16-18H2
• InChIKey: FFWIVYDBXMKJAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-fluoro-N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: 3-fluoro-N-{4-[(3-fluorobenzyl)oxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.266506
• LogD (pH = 7.4): 5.266506
• Log P: 5.266506
• Molar Refractivity: 119.3057 cm^3
• Polarizability: 45.19761 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.57
• LOG S: -6.5
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8