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

• ChemBase ID: 836294
• Molecular Formular: C23H28FNO3
• Molecular Mass: 385.4717232
• Monoisotopic Mass: 385.20532198
• SMILES: N(C(=O)CC)(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: CCC(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C23H28FNO3/c1-2-23(26)25(17-21-10-6-13-27-21)16-18-7-5-9-20(15-18)28-14-12-19-8-3-4-11-22(19)24/h3-5,7-9,11,15,21H,2,6,10,12-14,16-17H2,1H3
• InChIKey: BDGIVWFWOCJZCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2588267
• LogD (pH = 7.4): 4.2588267
• Log P: 4.2588267
• Molar Refractivity: 107.8007 cm^3
• Polarizability: 41.60149 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: 4.56
• LOG S: -4.76
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8