N'-(2,2-dichloro-1-phenylethenyl)-N-phenylethanimidamide

• ChemBase ID: 85179
• Molecular Formular: C16H14Cl2N2
• Molecular Mass: 305.20176
• Monoisotopic Mass: 304.05340382
• SMILES: N(=C(\Nc1ccccc1)/C)/C(=C(Cl)Cl)c1ccccc1
• Canonical SMILES: C/C(=N\C(=C(Cl)Cl)c1ccccc1)/Nc1ccccc1
• InChI: InChI=1S/C16H14Cl2N2/c1-12(19-14-10-6-3-7-11-14)20-15(16(17)18)13-8-4-2-5-9-13/h2-11H,1H3,(H,19,20)
• InChIKey: YIWGFKZXZGNVCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2,2-dichloro-1-phenylethenyl)-N-phenylethanimidamide
• IUPAC Traditional name: N'-(2,2-dichloro-1-phenylethenyl)-N-phenylethanimidamide
• Synonyms: N'1-(2,2-dichloro-1-phenylvinyl)-N1-phenylethanimidamide

Database IDs

• MDL Number: MFCD00422129
• PubChem SID: 162072295
• PubChem CID: 2795196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8798897
• LogD (pH = 7.4): 4.054432
• Log P: 4.1463013
• Molar Refractivity: 97.6497 cm^3
• Polarizability: 32.648922 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true