2-amino-N-[4-(2,5-dimethoxyphenyl)-2-fluorophenyl]acetamide

• ChemBase ID: 500839
• Molecular Formular: C16H17FN2O3
• Molecular Mass: 304.3161832
• Monoisotopic Mass: 304.12232063
• SMILES: c1(c2cc(c(NC(=O)CN)cc2)F)c(ccc(c1)OC)OC
• Canonical SMILES: NCC(=O)Nc1ccc(cc1F)c1cc(OC)ccc1OC
• InChI: InChI=1S/C16H17FN2O3/c1-21-11-4-6-15(22-2)12(8-11)10-3-5-14(13(17)7-10)19-16(20)9-18/h3-8H,9,18H2,1-2H3,(H,19,20)
• InChIKey: GODROXNGGYMOLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[4-(2,5-dimethoxyphenyl)-2-fluorophenyl]acetamide
• IUPAC Traditional name: 2-amino-N-[4-(2,5-dimethoxyphenyl)-2-fluorophenyl]acetamide
• Synonyms: 2-amino-N-(3-fluoro-2',5'-dimethoxybiphenyl-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.508812
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.61155784
• LogD (pH = 7.4): 1.0825876
• Log P: 1.7614111
• Molar Refractivity: 82.5597 cm^3
• Polarizability: 32.36638 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.82
• LOG S: -2.12
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5