4-{[(Z)-(4-Chlorophenyl)(3-Fluoro-6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]Amino}Butanamide

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Properties Simple | Detailed

Formula C17H16ClFN2O2
IUPAC Name 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide
Molecular Mass 334.773 g·mol−1
Heat of Formation -413.5 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 380.34 Å 3
Surface Area 331.43 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(4-chlorophenyl)-(3-fluoro-6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]butyramide
  • 4-[[(4-chlorophenyl)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanamide
  • 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]butyramide
  • 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanamide
  • d05621
  • gabrene
  • progabide (usan)
  • sl-76002
InChIKey DWEQWXSKOHHBNT-VKAVYKQESA-N
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