2-chloro-N,N'-diphenylethanimidamide

• ChemBase ID: 233057
• Molecular Formular: C14H13ClN2
• Molecular Mass: 244.71942
• Monoisotopic Mass: 244.07672611
• SMILES: C(=N\c1ccccc1)(\Nc1ccccc1)/CCl
• Canonical SMILES: ClC/C(=N/c1ccccc1)/Nc1ccccc1
• InChI: InChI=1S/C14H13ClN2/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
• InChIKey: VFLWOCZDHNWJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N'-diphenylethanimidamide
• IUPAC Traditional name: 2-chloro-N,N'-diphenylethanimidamide
• Synonyms: 2-chloro-N,N'-diphenylethanimidamide

Database IDs

• CAS Number: 40403-43-8
• MDL Number: MFCD06660491
• PubChem SID: 164288967
• PubChem CID: 3857240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.485193
• LogD (pH = 7.4): 3.6701856
• Log P: 3.8100586
• Molar Refractivity: 74.4198 cm^3
• Polarizability: 27.269094 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.879

Product Information

• Purity: 95%