ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-(1-pyrrolidinyl)nicotinamide | C21H24ClFN4O3

N-(3-Chloro-4-fluorophenyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-(1-pyrrolidinyl)nicotinamide

  • Molecular FormulaC21H24ClFN4O3
  • Average mass434.892 Da
  • Monoisotopic mass434.152100 Da
  • ChemSpider ID22518131

More details:

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

3-Pyridinecarboxamide, N-(3-chloro-4-fluorophenyl)-N-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-6-(1-pyrrolidinyl)- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-(1-pyrrolidinyl)nicotinamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-(1-pyrrolidinyl)nicotinamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-N-{2-[(2-méthoxyéthyl)amino]-2-oxoéthyl}-6-(1-pyrrolidinyl)nicotinamide [French] [ACD/IUPAC Name]
2-[N-(3-CHLORO-4-FLUOROPHENYL)-1-[6-(PYRROLIDIN-1-YL)PYRIDIN-3-YL]FORMAMIDO]-N-(2-METHOXYETHYL)ACETAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 30.59
ACD/KOC (pH 5.5): 393.71
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.10
ACD/KOC (pH 7.4): 425.97
Polar Surface Area: 75 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

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