ChemSpider 2D Image | N-[3-Oxo-3-(4-pyridinylamino)propyl]-3-(trifluoromethyl)cyclohexanecarboxamide | C16H20F3N3O2

N-[3-Oxo-3-(4-pyridinylamino)propyl]-3-(trifluoromethyl)cyclohexanecarboxamide

  • Molecular FormulaC16H20F3N3O2
  • Average mass343.344 Da
  • Monoisotopic mass343.150757 Da
  • ChemSpider ID34436035

More details:

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

Cyclohexanecarboxamide, N-[3-oxo-3-(4-pyridinylamino)propyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[3-Oxo-3-(4-pyridinylamino)propyl]-3-(trifluormethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[3-Oxo-3-(4-pyridinylamino)propyl]-3-(trifluoromethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-[3-Oxo-3-(4-pyridinylamino)propyl]-3-(trifluorométhyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-(PYRIDIN-4-YL)-3-{[3-(TRIFLUOROMETHYL)CYCLOHEXYL]FORMAMIDO}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: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 59.59
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.47
ACD/KOC (pH 7.4): 266.14
Polar Surface Area: 71 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

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