4-(4-ethenylphenyl)benzamide

• ChemBase ID: 472812
• Molecular Formular: C15H13NO
• Molecular Mass: 223.26982
• Monoisotopic Mass: 223.09971404
• SMILES: C(=O)(c1ccc(c2ccc(C=C)cc2)cc1)N
• Canonical SMILES: C=Cc1ccc(cc1)c1ccc(cc1)C(=O)N
• InChI: InChI=1S/C15H13NO/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h2-10H,1H2,(H2,16,17)
• InChIKey: YCGAFWCLMWDTQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethenylphenyl)benzamide
• IUPAC Traditional name: 4-(4-ethenylphenyl)benzamide
• Synonyms: 4'-vinylbiphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.4741955
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.207813
• LogD (pH = 7.4): 3.2078135
• Log P: 3.2078135
• Molar Refractivity: 69.9589 cm^3
• Polarizability: 27.718761 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.87
• LOG S: -3.28
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 3