4-{4-[3-(2-Bromo-5-Fluorophenoxy)Propyl]Phenyl}-N-(2-Chlorobenzyl)-N-Cyclopropyl-1,2,5,6-Tetrahydro-3-Pyridinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H31BrClFN2O2
IUPAC Name 4-[4-[3-(2-bromo-5-fluoro-phenoxy)propyl]phenyl]-n-[(2-chlorophenyl)methyl]-n-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxamide
Molecular Mass 597.945 g·mol−1
Heat of Formation -197.8 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 651.85 Å 3
Surface Area 525.27 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[3-(2-bromo-5-fluoro-phenoxy)propyl]phenyl]-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
  • 4-[4-[3-(2-bromo-5-fluoro-phenoxy)propyl]phenyl]-n-[(2-chlorophenyl)methyl]-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
  • 4-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-n-[(2-chlorophenyl)methyl]-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
InChIKey GNQKDXQPKKYVIX-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H F O N Br