2-Bromo-N-[3-(2-{4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}Ethyl)Phenyl]Acetamide

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Properties Simple | Detailed

Formula C21H23BrF3N3O
IUPAC Name 2-bromo-n-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]acetamide
Molecular Mass 470.326 g·mol−1
Heat of Formation -623.7 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 485.99 Å 3
Surface Area 434.18 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(3-bromoacetamidophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine
  • 2-bromo-n-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]phenyl]acetamide
  • 2-bromo-n-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]acetamide
  • 2-bromo-n-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]ethanamide
  • acetamide, 2-bromo-n-(3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)phenyl)-, cis-(+-)-
  • bractfmpp
CAS Number(s)
  • 95860-08-5
InChIKey FIGGNDQRYPEEII-UHFFFAOYSA-N
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Elements C F H O N Br