ChemSpider 2D Image | (2S)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(trifluoroacetyl)amino]propanamide | C13H11F6N3O5

(2S)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(trifluoroacetyl)amino]propanamide

  • Molecular FormulaC13H11F6N3O5
  • Average mass403.234 Da
  • Monoisotopic mass403.060303 Da
  • ChemSpider ID34989106

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluormethyl)phenyl]-3-[(trifluoracetyl)amino]propanamid [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-méthyl-N-[4-nitro-3-(trifluorométhyl)phényl]-3-[(2,2,2-trifluoroacétyl)amino]propanamide [French] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(trifluoroacetyl)amino]propanamide [ACD/IUPAC Name]
Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(2,2,2-trifluoroacetyl)amino]-, (2S)- [ACD/Index Name]
260980-89-0 [RN]
Topilutamide [INN]
UNII-A8EU2FXY13

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

Density: 1.6±0.1 g/cm3
Boiling Point: 555.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.8±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.95
ACD/KOC (pH 5.5): 919.56
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.79
ACD/KOC (pH 7.4): 918.07
Polar Surface Area: 124 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


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