4-[({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C19H21Cl2N3O2
IUPAC Name 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]benzamide
Molecular Mass 394.295 g·mol−1
Heat of Formation -279.0 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 454.17 Å 3
Surface Area 408.13 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]benzamide
  • 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]benzamide
  • benzeneacetamide, n-(4-(aminocarbonyl)phenyl)-4-(bis(2-chloroethyl)amino)-
  • pafencil amide
  • paraphenacyl
CAS Number(s)
  • 17173-85-2
InChIKey LDOXRXGFQUAEOE-UHFFFAOYSA-N
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Elements H C N O Cl