ChemSpider 2D Image | N~2~-(Trifluoroacetyl)-N-(2-{[4-(trifluoromethyl)phenyl]amino}propanoyl)leucinamide | C18H21F6N3O3

N2-(Trifluoroacetyl)-N-(2-{[4-(trifluoromethyl)phenyl]amino}propanoyl)leucinamide

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID26514455

More details:

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

N2-(2,2,2-Trifluoroacétyl)-N-(2-{[4-(trifluorométhyl)phényl]amino}propanoyl)leucinamide [French] [ACD/IUPAC Name]
N2-(Trifluoracetyl)-N-(2-{[4-(trifluormethyl)phenyl]amino}propanoyl)leucinamid [German] [ACD/IUPAC Name]
N2-(Trifluoroacetyl)-N-(2-{[4-(trifluoromethyl)phenyl]amino}propanoyl)leucinamide [ACD/IUPAC Name]
Pentanamide, 4-methyl-N-[1-oxo-2-[[4-(trifluoromethyl)phenyl]amino]propyl]-2-[(2,2,2-trifluoroacetyl)amino]- [ACD/Index Name]
119777-90-1 [RN]
L-Alaninamide,N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±30.1 °C
Index of Refraction: 1.479
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.15
ACD/KOC (pH 5.5): 1135.30
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.75
ACD/KOC (pH 7.4): 1123.10
Polar Surface Area: 87 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

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