ChemSpider 2D Image | 5-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide | C21H15ClF4N4O3

5-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC21H15ClF4N4O3
  • Average mass482.815 Da
  • Monoisotopic mass482.076874 Da
  • ChemSpider ID32696961

More details:

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

2-Pyridinecarboxamide, 5-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl- [ACD/Index Name]
5-[4-({[4-Chlor-3-(trifluormethyl)phenyl]carbamoyl}amino)-3-fluorphenoxy]-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
5-[4-({[4-Chloro-3-(trifluorométhyl)phényl]carbamoyl}amino)-3-fluorophénoxy]-N-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
5-[4-({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)-3-FLUOROPHENOXY]-N-METHYLPYRIDINE-2-CARBOXAMIDE
755037-03-7 [RN]
Regorafenib [INN] [USAN] [Wiki]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 517.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±3.0 kJ/mol
    Flash Point: 266.9±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: 5.71
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1795.34
    ACD/KOC (pH 5.5): 7428.23
    ACD/LogD (pH 7.4): 4.58
    ACD/BCF (pH 7.4): 1793.47
    ACD/KOC (pH 7.4): 7420.50
    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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