ChemSpider 2D Image | 1-(3-Bromophenyl)-2,5-dimethyl-N-{2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}-1H-pyrrole-3-carboxamide | C21H17BrF3N3O2

1-(3-Bromophenyl)-2,5-dimethyl-N-{2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}-1H-pyrrole-3-carboxamide

  • Molecular FormulaC21H17BrF3N3O2
  • Average mass480.278 Da
  • Monoisotopic mass479.045624 Da
  • ChemSpider ID70329432

More details:

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

1-(3-Bromophenyl)-2,5-dimethyl-N-{2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
1-(3-Bromophényl)-2,5-diméthyl-N-{2-oxo-2-[(2,3,4-trifluorophényl)amino]éthyl}-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-2,5-dimethyl-N-{2-oxo-2-[(2,3,4-trifluorphenyl)amino]ethyl}-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxamide, 1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2465.63
ACD/KOC (pH 5.5): 9322.21
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2436.05
ACD/KOC (pH 7.4): 9210.38
Polar Surface Area: 63 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 319.2±7.0 cm3

Click to predict properties on the Chemicalize site


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