N-(2-Amino-5-Fluorophenyl)-4-({[(2E)-3-(3-Pyridinyl)-2-Propenoyl]Amino}Methyl)Benzamide

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Properties Simple | Detailed

Formula C22H19FN4O2
IUPAC Name n-(2-amino-5-fluoro-phenyl)-4-[[[(e)-3-(3-pyridyl)prop-2-enoyl]amino]methyl]benzamide
Molecular Mass 390.410 g·mol−1
Heat of Formation -137.6 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 453.36 Å 3
Surface Area 418.71 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2-amino-5-fluoro-phenyl)-4-[[[(e)-3-(3-pyridyl)acryloyl]amino]methyl]benzamide
  • n-(2-amino-5-fluoro-phenyl)-4-[[[(e)-3-(3-pyridyl)prop-2-enoyl]amino]methyl]benzamide
  • n-(2-amino-5-fluoro-phenyl)-4-[[[(e)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
  • n-(2-amino-5-fluorophenyl)-4-[[[(e)-1-oxo-3-(3-pyridyl)prop-2-enyl]amino]methyl]benzamide
  • n-(2-amino-5-fluorophenyl)-4-[[[(e)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
InChIKey WXHHICFWKXDFOW-BJMVGYQFSA-N
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