ChemSpider 2D Image | 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-(~2~H_3_)methyl-2-pyridinecarboxamide | C21H12D3ClF4N4O3

4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-(2H3)methyl-2-pyridinecarboxamide

  • Molecular FormulaC21H12D3ClF4N4O3
  • Average mass485.834 Da
  • Monoisotopic mass485.095703 Da
  • ChemSpider ID34559674

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)- [ACD/Index Name]
4-[4-({[4-Chlor-3-(trifluormethyl)phenyl]carbamoyl}amino)-3-fluorphenoxy]-N-(2H3)methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-(2H3)methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
4-[4-({[4-Chloro-3-(trifluorométhyl)phényl]carbamoyl}amino)-3-fluorophénoxy]-N-(2H3)méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
1255386-16-3 [RN]
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
regorafenib d3
Regorafenib-d3
Regorafenib-d3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.3±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1319.99
ACD/KOC (pH 5.5): 5958.94
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1319.73
ACD/KOC (pH 7.4): 5957.76
Polar Surface Area: 92 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

Click to predict properties on the Chemicalize site


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