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

• ChemBase ID: 80360
• Molecular Formular: C11H12Cl2N2
• Molecular Mass: 243.13238
• Monoisotopic Mass: 242.03775375
• SMILES: N(=C(\NC)/C)/C(=C(Cl)Cl)c1ccccc1
• Canonical SMILES: CN/C(=N/C(=C(Cl)Cl)c1ccccc1)/C
• InChI: InChI=1S/C11H12Cl2N2/c1-8(14-2)15-10(11(12)13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15)
• InChIKey: YQZQICXZRYXFCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00447485
• PubChem SID: 162067480
• PubChem CID: 2776043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1725643
• LogD (pH = 7.4): 0.017719876
• Log P: 2.2398326
• Molar Refractivity: 76.0913 cm^3
• Polarizability: 24.90722 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true