ChemSpider 2D Image | N-[(1S)-1-(2-Chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide | C15H13ClFN3O

N-[(1S)-1-(2-Chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC15H13ClFN3O
  • Average mass305.735 Da
  • Monoisotopic mass305.073120 Da
  • ChemSpider ID23316347

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl- [ACD/Index Name]
N-[(1S)-1-(2-Chlor-6-fluorphenyl)ethyl]-5-cyan-1-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(2-Chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(2-Chloro-6-fluorophényl)éthyl]-5-cyano-1-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
(S)-N-(1-(2-chloro-6-fluorophenyl)ethyl)-5-cyano-1-methyl-1H-pyrrole-2-carboxamide
1041644-43-2 [RN]
1HX
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methylpyrrole-2-carboxamide
Nec-4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.9±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 80.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.05
ACD/KOC (pH 5.5): 581.02
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.05
ACD/KOC (pH 7.4): 581.02
Polar Surface Area: 58 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 237.1±7.0 cm3

Click to predict properties on the Chemicalize site


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