2-[2-(3,5-difluoro-2-methoxyphenyl)phenoxy]propanamide

• ChemBase ID: 412919
• Molecular Formular: C16H15F2NO3
• Molecular Mass: 307.2920064
• Monoisotopic Mass: 307.10199979
• SMILES: c1(c(c(cc(c1)F)F)OC)c1c(OC(C(=O)N)C)cccc1
• Canonical SMILES: COc1c(F)cc(cc1c1ccccc1OC(C(=O)N)C)F
• InChI: InChI=1S/C16H15F2NO3/c1-9(16(19)20)22-14-6-4-3-5-11(14)12-7-10(17)8-13(18)15(12)21-2/h3-9H,1-2H3,(H2,19,20)
• InChIKey: QGNZIPDRDIPJNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3,5-difluoro-2-methoxyphenyl)phenoxy]propanamide
• IUPAC Traditional name: 2-[2-(3,5-difluoro-2-methoxyphenyl)phenoxy]propanamide
• Synonyms: 2-[(3',5'-difluoro-2'-methoxybiphenyl-2-yl)oxy]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.209782
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8303375
• LogD (pH = 7.4): 2.8303375
• Log P: 2.8303375
• Molar Refractivity: 76.9541 cm^3
• Polarizability: 30.552227 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: 2.39
• LOG S: -3.48
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5