ChemSpider 2D Image | N-(2-Aminoethyl)-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-2-pyridinecarboxamide | C22H19ClF3N5O3

N-(2-Aminoethyl)-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-2-pyridinecarboxamide

  • Molecular FormulaC22H19ClF3N5O3
  • Average mass493.866 Da
  • Monoisotopic mass493.112854 Da
  • ChemSpider ID82953433

More details:

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

2-Pyridinecarboxamide, N-(2-aminoethyl)-4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]- [ACD/Index Name]
N-(2-Aminoethyl)-4-[4-({[4-chlor-3-(trifluormethyl)phenyl]carbamoyl}amino)phenoxy]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-4-[4-({[4-chloro-3-(trifluorométhyl)phényl]carbamoyl}amino)phénoxy]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 569.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.1±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 38.65
Polar Surface Area: 118 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

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