4-{[(E)-(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-[[(e)-(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 -354.5 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 381.38 Å 3
Surface Area 339.86 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)butanamide
  • 4-((alpha-(p-chlorophenyl)-5-fluorosalicylidene)amino)butyramide
  • 4-(alpha-(p-chlorophenyl)-5-fluoro-2-hydroxybenzylideneamino)butyramide
  • 4-[[(e)-(4-chlorophenyl)-(3-fluoro-6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]butyramide
  • 4-[[(e)-(4-chlorophenyl)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanamide
  • butanamide, 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)-
  • butyramide, 4-(alpha-(p-chlorophenyl)-5-fluoro-2-hydroxybenzylideneamino)-
  • gabren
  • halogabide
  • progabide
  • sl 76-002
CAS Number(s)
  • 62666-20-0
InChIKey DWEQWXSKOHHBNT-SAPNQHFASA-N
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