2-Bromo-N-{2-[7-Chloro-5-(2-Fluorophenyl)-2-Oxo-2,3-Dihydro-1H-1,4-Benzodiazepin-1-Yl]Ethyl}Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H16BrClFN3O2
IUPAC Name 2-bromo-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
Molecular Mass 452.705 g·mol−1
Heat of Formation -298.9 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 455.78 Å 3
Surface Area 352.88 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-bromoacetamidoethyl)-7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2h-1,4-benzodiazepine-2-one
  • 2-bromo-n-[2-[7-chloro-5-(2-fluorophenyl)-2-keto-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
  • 2-bromo-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
  • 2-bromo-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]ethanamide
  • acetamide, 2-bromo-n-(2-(7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1h-1,4-benzodiazepin-1-yl)ethyl)-
  • kenazepine
  • ro 71986-1
CAS Number(s)
  • 75887-99-9
InChIKey RUMBKDGXDMTRBI-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N Br