2-{[N-(2-Acetyl-5-Chloro-4-Fluorophenyl)Glycyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C17H14ClFN2O4
IUPAC Name 2-[[2-(2-acetyl-5-chloro-4-fluoro-anilino)acetyl]amino]benzoic acid
Molecular Mass 364.755 g·mol−1
Heat of Formation -767.6 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 388.69 Å 3
Surface Area 356.05 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(5-chloro-2-ethanoyl-4-fluoro-phenyl)amino]ethanoylamino]benzoic acid
  • 2-[[2-[(2-acetyl-5-chloro-4-fluoro-phenyl)amino]acetyl]amino]benzoic acid
  • 2-[[2-[(2-acetyl-5-chloro-4-fluorophenyl)amino]-1-oxoethyl]amino]benzoic acid
  • 2-[[2-[(2-acetyl-5-chloro-4-fluorophenyl)amino]acetyl]amino]benzoic acid
InChIKey LBMZLHCAPBBOFS-UHFFFAOYSA-N
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Elements C Cl H F O N