ChemSpider 2D Image | N-[3-(4'-Chloro-2-cyano-3-biphenylyl)-2-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide | C27H25ClF3N3O2

N-[3-(4'-Chloro-2-cyano-3-biphenylyl)-2-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID9930970

More details:

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

N-[3-(4'-Chlor-2-cyan-3-biphenylyl)-2-methylpropyl]-2-methyl-2-{[5-(trifluormethyl)-2-pyridinyl]oxy}propanamid [German] [ACD/IUPAC Name]
N-[3-(4'-Chloro-2-cyano-3-biphenylyl)-2-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide [ACD/IUPAC Name]
N-[3-(4'-Chloro-2-cyano-3-biphénylyl)-2-méthylpropyl]-2-méthyl-2-{[5-(trifluorométhyl)-2-pyridinyl]oxy}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[3-(4'-chloro-2-cyano[1,1'-biphenyl]-3-yl)-2-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47098.39
ACD/KOC (pH 5.5): 77005.01
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47098.80
ACD/KOC (pH 7.4): 77005.68
Polar Surface Area: 75 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 394.9±5.0 cm3

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