ChemSpider 2D Image | 3-{[(1-~2~H)Cyclopropyl(~2~H_2_)methyl]oxy}-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide | C17H11D3Cl2F2N2O3

3-{[(1-2H)Cyclopropyl(2H2)methyl]oxy}-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide

  • Molecular FormulaC17H11D3Cl2F2N2O3
  • Average mass406.226 Da
  • Monoisotopic mass405.053772 Da
  • ChemSpider ID28558680

  • Non-standard isotope - Non-standard isotope

More details:

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

3-{[(1-2H)Cyclopropyl(2H2)methyl]oxy}-N-(3,5-dichlor-4-pyridinyl)-4-(difluormethoxy)benzamid [German] [ACD/IUPAC Name]
3-{[(1-2H)Cyclopropyl(2H2)methyl]oxy}-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide [ACD/IUPAC Name]
3-{[(1-2H)Cyclopropyl(2H2)méthyl]oxy}-N-(3,5-dichloro-4-pyridinyl)-4-(difluorométhoxy)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(cyclopropyl-1-d-methyl-d2)oxy]-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)- [ACD/Index Name]
1189992-00-4 [RN]
3-{[(1-2H)Cyclopropyl(2H2)methyl]oxy}-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
ROFLUMILAST-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: 430.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.2±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 714.40
ACD/KOC (pH 5.5): 3840.99
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 710.27
ACD/KOC (pH 7.4): 3818.80
Polar Surface Area: 60 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 274.0±3.0 cm3

Click to predict properties on the Chemicalize site


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