ChemSpider 2D Image | N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-3-pyridinyl]oxy}propanamide | C27H25ClF3N3O2

N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-3-pyridinyl]oxy}propanamide

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID23286239

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-3-pyridinyl]oxy}propanamide [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorophényl)-3-(3-cyanophényl)-2-butanyl]-2-méthyl-2-{[5-(trifluorométhyl)-3-pyridinyl]oxy}propanamide [French] [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-3-yl]oxy}propanamide
N-[(2S,3S)-4-(4-Chlorphenyl)-3-(3-cyanphenyl)-2-butanyl]-2-methyl-2-{[5-(trifluormethyl)-3-pyridinyl]oxy}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-3-pyridinyl]oxy]- [ACD/Index Name]
CHEMBL231636
N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-3-yloxy)propanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.575
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: 6.68
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33649.93
ACD/KOC (pH 5.5): 60532.43
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33652.85
ACD/KOC (pH 7.4): 60537.69
Polar Surface Area: 75 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

Click to predict properties on the Chemicalize site


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