ChemSpider 2D Image | 3-{[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide | C29H31F3N2O3

3-{[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID26237692

More details:

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

3-{[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]amino}-N-[3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-{[5-(2,5-Diméthylphénoxy)-2,2-diméthylpentanoyl]amino}-N-[3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-oxopentyl]amino]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.7±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 78026.81
ACD/KOC (pH 5.5): 110521.80
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 78026.73
ACD/KOC (pH 7.4): 110521.69
Polar Surface Area: 67 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 418.4±3.0 cm3

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