2-[(2,4-Dichlorophenyl)Amino]-N-(Tetrahydro-2H-Pyran-4-Ylmethyl)-4-(Trifluoromethyl)Pyrimidine-5-Carboxamide

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Formula C18H17Cl2F3N4O2
IUPAC Name 2-(2,4-dichloroanilino)-n-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Molecular Mass 449.254 g·mol−1
Heat of Formation -825.6 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 472.47 Å 3
Surface Area 397.49 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2,4-dichlorophenyl)amino]-n-(4-tetrahydropyranylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
  • 2-[(2,4-dichlorophenyl)amino]-n-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
  • 2-[(2,4-dichlorophenyl)amino]-n-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
InChIKey TWQYWUXBZHPIIV-UHFFFAOYSA-N
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Elements C F H Cl O N