2-(5-chloro-2-ethoxyphenyl)-6-fluorobenzamide

• ChemBase ID: 478963
• Molecular Formular: C15H13ClFNO2
• Molecular Mass: 293.7206232
• Monoisotopic Mass: 293.06188456
• SMILES: c1(c(c2c(ccc(c2)Cl)OCC)cccc1F)C(=O)N
• Canonical SMILES: CCOc1ccc(cc1c1cccc(c1C(=O)N)F)Cl
• InChI: InChI=1S/C15H13ClFNO2/c1-2-20-13-7-6-9(16)8-11(13)10-4-3-5-12(17)14(10)15(18)19/h3-8H,2H2,1H3,(H2,18,19)
• InChIKey: FDSATRJHFZJKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-ethoxyphenyl)-6-fluorobenzamide
• IUPAC Traditional name: 2-(5-chloro-2-ethoxyphenyl)-6-fluorobenzamide
• Synonyms: 5'-chloro-2'-ethoxy-3-fluorobiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.156443
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4169948
• LogD (pH = 7.4): 3.4169955
• Log P: 3.4169948
• Molar Refractivity: 76.5056 cm^3
• Polarizability: 29.9922 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.92
• LOG S: -3.84
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4