2-[4-(3-acetyl-2-fluorophenyl)phenyl]-N,N-dimethylacetamide

• ChemBase ID: 685523
• Molecular Formular: C18H18FNO2
• Molecular Mass: 299.3394232
• Monoisotopic Mass: 299.13215704
• SMILES: c1(c(C(=O)C)cccc1c1ccc(CC(=O)N(C)C)cc1)F
• Canonical SMILES: O=C(N(C)C)Cc1ccc(cc1)c1cccc(c1F)C(=O)C
• InChI: InChI=1S/C18H18FNO2/c1-12(21)15-5-4-6-16(18(15)19)14-9-7-13(8-10-14)11-17(22)20(2)3/h4-10H,11H2,1-3H3
• InChIKey: LXQNQZICVHOMJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-acetyl-2-fluorophenyl)phenyl]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[4-(3-acetyl-2-fluorophenyl)phenyl]-N,N-dimethylacetamide
• Synonyms: 2-(3'-acetyl-2'-fluorobiphenyl-4-yl)-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.247863
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5989785
• LogD (pH = 7.4): 2.5989785
• Log P: 2.5989785
• Molar Refractivity: 84.7366 cm^3
• Polarizability: 33.232983 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.25
• LOG S: -3.31
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 4