N-(4-Methyl-3-{[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino}Phenyl)-3,5-Bis(Trifluoromethyl)Benzamide

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Formula C25H17F6N5O
IUPAC Name n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
Molecular Mass 517.426 g·mol−1
Heat of Formation -1011.4 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 552.38 Å 3
Surface Area 450.46 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
  • n-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
  • n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
InChIKey LCPGCGAJBOWMIP-UHFFFAOYSA-N
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