5-[(2-Methyl-5-{[3-(Trifluoromethyl)Phenyl]Carbamoyl}Phenyl)Amino]Nicotinamide

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Properties Simple | Detailed

Formula C21H17F3N4O2
IUPAC Name 5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
Molecular Mass 414.380 g·mol−1
Heat of Formation -690.0 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 455.91 Å 3
Surface Area 412.0 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
InChIKey SAAYRHKJHDIDPH-UHFFFAOYSA-N
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