ChemSpider 2D Image | N-(3-Chloro-4-fluorobenzyl)-3-[3,5-dimethyl-4-(4-morpholinylcarbonyl)-1H-pyrrol-2-yl]propanamide | C21H25ClFN3O3

N-(3-Chloro-4-fluorobenzyl)-3-[3,5-dimethyl-4-(4-morpholinylcarbonyl)-1H-pyrrol-2-yl]propanamide

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID28402692

More details:

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

1H-Pyrrole-2-propanamide, N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-4-(4-morpholinylcarbonyl)- [ACD/Index Name]
N-(3-Chlor-4-fluorbenzyl)-3-[3,5-dimethyl-4-(4-morpholinylcarbonyl)-1H-pyrrol-2-yl]propanamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-3-[3,5-dimethyl-4-(4-morpholinylcarbonyl)-1H-pyrrol-2-yl]propanamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-3-[3,5-diméthyl-4-(4-morpholinylcarbonyl)-1H-pyrrol-2-yl]propanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.51
ACD/KOC (pH 5.5): 996.80
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.51
ACD/KOC (pH 7.4): 996.80
Polar Surface Area: 74 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

Click to predict properties on the Chemicalize site


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