2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]acetamide

• ChemBase ID: 552564
• Molecular Formular: C15H14FNO3
• Molecular Mass: 275.2749632
• Monoisotopic Mass: 275.09577153
• SMILES: c1(c(cc(cc1)F)OC)c1cc(OCC(=O)N)ccc1
• Canonical SMILES: COc1cc(F)ccc1c1cccc(c1)OCC(=O)N
• InChI: InChI=1S/C15H14FNO3/c1-19-14-8-11(16)5-6-13(14)10-3-2-4-12(7-10)20-9-15(17)18/h2-8H,9H2,1H3,(H2,17,18)
• InChIKey: JNFBLDVEPNMOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[3-(4-fluoro-2-methoxyphenyl)phenoxy]acetamide
• Synonyms: 2-[(4'-fluoro-2'-methoxybiphenyl-3-yl)oxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.944933
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1188712
• LogD (pH = 7.4): 2.1188712
• Log P: 2.1188712
• Molar Refractivity: 72.2438 cm^3
• Polarizability: 29.009495 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.01
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5