4-{2-[(2-Chloro-4-Fluorophenyl)Amino]-5-Methyl-4-Pyrimidinyl}-N-[(1S)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C24H20Cl2FN5O2
IUPAC Name 4-[2-(2-chloro-4-fluoro-anilino)-5-methyl-pyrimidin-4-yl]-n-[(1s)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-3h-pyrrol-1-ium-3-ide-2-carboxamide
Molecular Mass 500.352 g·mol−1
Heat of Formation -159.9 ± 16.7 kJ·mol−1
Dipole Moment 9.01 ± 1.08 D
Volume 541.92 Å 3
Surface Area 484.21 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[(2-chloro-4-fluoro-phenyl)amino]-5-methyl-pyrimidin-4-yl]-n-[(1s)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-1h-pyrrole-2-carboxamide
  • 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
  • 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl]-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
InChIKey WUTVMXLIGHTZJC-OAQYLSRUSA-N
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