Regorafenib

Molecule SVG Image

Properties Simple | Detailed

Formula C21H15ClF4N4O3
IUPAC Name 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-n-methyl-pyridine-2-carboxamide
Molecular Mass 482.815 g·mol−1
Heat of Formation -1029.3 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 486.21 Å 3
Surface Area 444.12 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-n-methyl-picolinamide
  • 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-n-methyl-pyridine-2-carboxamide
  • 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]-oxomethyl]amino]-3-fluorophenoxy]-n-methyl-2-pyridinecarboxamide
InChIKey FNHKPVJBJVTLMP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N