2-(2,3-difluorophenyl)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

• ChemBase ID: 863644
• Molecular Formular: C19H19F2NO
• Molecular Mass: 315.3570664
• Monoisotopic Mass: 315.14347067
• SMILES: C(=O)(Cc1c(c(F)ccc1)F)N(C/C=C/c1ccccc1)CC
• Canonical SMILES: CCN(C(=O)Cc1cccc(c1F)F)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H19F2NO/c1-2-22(13-7-10-15-8-4-3-5-9-15)18(23)14-16-11-6-12-17(20)19(16)21/h3-12H,2,13-14H2,1H3/b10-7+
• InChIKey: GGISPHISLXEURZ-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-difluorophenyl)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• IUPAC Traditional name: 2-(2,3-difluorophenyl)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• Synonyms: 2-(2,3-difluorophenyl)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.228004
• LogD (pH = 7.4): 4.2280045
• Log P: 4.2280045
• Molar Refractivity: 89.0938 cm^3
• Polarizability: 33.155334 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.08
• LOG S: -4.99
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6