ChemSpider 2D Image | N-(3-Bromophenyl)-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxamide | C17H16BrF3N4O

N-(3-Bromophenyl)-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxamide

  • Molecular FormulaC17H16BrF3N4O
  • Average mass429.234 Da
  • Monoisotopic mass428.045959 Da
  • ChemSpider ID35300173

More details:

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

4-Piperidinecarboxamide, N-(3-bromophenyl)-1-[6-(trifluoromethyl)-4-pyrimidinyl]- [ACD/Index Name]
N-(3-Bromophenyl)-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(3-Bromophényl)-1-[6-(trifluorométhyl)-4-pyrimidinyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(3-Bromphenyl)-1-[6-(trifluormethyl)-4-pyrimidinyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
MFCD29012007
N-(3-bromophenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 629.07
ACD/KOC (pH 5.5): 3504.25
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.66
ACD/KOC (pH 7.4): 3513.12
Polar Surface Area: 58 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 276.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement