N,N''-Bis-(4-Chloro-Phenyl)-Malonamide
[CAS# 17722-20-2]

Identification

• Name: N,N''-Bis-(4-Chloro-Phenyl)-Malonamide
• Synonyms: N,N'-Bis(4-Chlorophenyl)Malonamide; Aids-097040; Aids097040
• Molecular Formula: C₁₅H₁₂Cl₂N₂O₂
• Molecular Weight: 323.18
• CAS Registry Number: 17722-20-2
• SMILES: C2=C(NC(CC(NC1=CC=C(Cl)C=C1)=O)=O)C=CC(=C2)Cl
• InChI: 1S/C15H12Cl2N2O2/c16-10-1-5-12(6-2-10)18-14(20)9-15(21)19-13-7-3-11(17)4-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
• InChIKey: UWWFXRVMMDRCCS-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 597.918°C at 760 mmHg (Cal.)
• Flash point: 315.409°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370