2-amino-N-[4-(3-chloro-4-methoxyphenyl)-2-fluorophenyl]acetamide

• ChemBase ID: 569331
• Molecular Formular: C15H14ClFN2O2
• Molecular Mass: 308.7352632
• Monoisotopic Mass: 308.0727836
• SMILES: N(c1c(cc(c2cc(c(cc2)OC)Cl)cc1)F)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1F)c1ccc(c(c1)Cl)OC
• InChI: InChI=1S/C15H14ClFN2O2/c1-21-14-5-3-9(6-11(14)16)10-2-4-13(12(17)7-10)19-15(20)8-18/h2-7H,8,18H2,1H3,(H,19,20)
• InChIKey: IMTPUGMHMBCFHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[4-(3-chloro-4-methoxyphenyl)-2-fluorophenyl]acetamide
• IUPAC Traditional name: 2-amino-N-[4-(3-chloro-4-methoxyphenyl)-2-fluorophenyl]acetamide
• Synonyms: 2-amino-N-(3'-chloro-3-fluoro-4'-methoxybiphenyl-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.558316
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15015337
• LogD (pH = 7.4): 1.844321
• Log P: 2.523127
• Molar Refractivity: 80.9013 cm^3
• Polarizability: 31.737514 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.67
• LOG S: -2.88
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4