ChemSpider 2D Image | 5-[(2-Methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]nicotinamide | C21H17F3N4O2

5-[(2-Methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]nicotinamide

  • Molecular FormulaC21H17F3N4O2
  • Average mass414.380 Da
  • Monoisotopic mass414.130371 Da
  • ChemSpider ID24620458

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarboxamide, 5-[[2-methyl-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]amino]- [ACD/Index Name]
5-[(2-Methyl-5-{[3-(trifluormethyl)phenyl]carbamoyl}phenyl)amino]nicotinamid [German] [ACD/IUPAC Name]
5-[(2-Methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]nicotinamide [ACD/IUPAC Name]
5-[(2-Méthyl-5-{[3-(trifluorométhyl)phényl]carbamoyl}phényl)amino]nicotinamide [French] [ACD/IUPAC Name]
5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
5-[2-methyl-5-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-3-pyridinecarboxamide
IHZ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.02
ACD/KOC (pH 5.5): 1503.44
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.87
ACD/KOC (pH 7.4): 1510.08
Polar Surface Area: 97 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement