ChemSpider 2D Image | 2-({2-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]-3-pyridinyl}oxy)-N-(3-chloro-4-fluorophenyl)acetamide | C21H16ClFN4O5

2-({2-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]-3-pyridinyl}oxy)-N-(3-chloro-4-fluorophenyl)acetamide

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID65987311

More details:

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

2-({2-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]-3-pyridinyl}oxy)-N-(3-chlor-4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-({2-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]-3-pyridinyl}oxy)-N-(3-chloro-4-fluorophenyl)acetamide [ACD/IUPAC Name]
2-({2-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]-3-pyridinyl}oxy)-N-(3-chloro-4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[2-[[(1,3-benzodioxol-5-ylamino)carbonyl]amino]-3-pyridinyl]oxy]-N-(3-chloro-4-fluorophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.26
ACD/KOC (pH 5.5): 2604.92
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 418.48
ACD/KOC (pH 7.4): 2618.83
Polar Surface Area: 111 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 291.9±3.0 cm3

Click to predict properties on the Chemicalize site


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