N-({2-[2-(4-fluorophenoxy)ethyl]phenyl}methyl)propanamide

• ChemBase ID: 817372
• Molecular Formular: C18H20FNO2
• Molecular Mass: 301.3553032
• Monoisotopic Mass: 301.14780711
• SMILES: C(=O)(NCc1c(CCOc2ccc(F)cc2)cccc1)CC
• Canonical SMILES: CCC(=O)NCc1ccccc1CCOc1ccc(cc1)F
• InChI: InChI=1S/C18H20FNO2/c1-2-18(21)20-13-15-6-4-3-5-14(15)11-12-22-17-9-7-16(19)8-10-17/h3-10H,2,11-13H2,1H3,(H,20,21)
• InChIKey: WVOFJDOLBIACOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(4-fluorophenoxy)ethyl]phenyl}methyl)propanamide
• IUPAC Traditional name: N-({2-[2-(4-fluorophenoxy)ethyl]phenyl}methyl)propanamide
• Synonyms: N-{2-[2-(4-fluorophenoxy)ethyl]benzyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.390242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6165617
• LogD (pH = 7.4): 3.6165617
• Log P: 3.6165617
• Molar Refractivity: 84.6493 cm^3
• Polarizability: 32.425423 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.19
• LOG S: -4.12
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7