4-[(1S)-1-{[5-Chloro-2-(4-Fluorophenoxy)Benzoyl]Amino}Ethyl]Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H17ClFNO4
IUPAC Name 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
Molecular Mass 413.826 g·mol−1
Heat of Formation -683.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 460.95 Å 3
Surface Area 354.44 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
  • 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)phenyl]carbonylamino]ethyl]benzoic acid
  • 4-[(1s)-1-[[[5-chloro-2-(4-fluorophenoxy)phenyl]-oxomethyl]amino]ethyl]benzoic acid
InChIKey MWBNCZHVEXULBD-ZDUSSCGKSA-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