ChemSpider 2D Image | N-[5-Chloro-2-({4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl}carbonyl)phenyl]-4-fluorobenzamide | C22H24ClFN4O3

N-[5-Chloro-2-({4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl}carbonyl)phenyl]-4-fluorobenzamide

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID22549287

More details:

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

1-Piperazineacetamide, 4-[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]-N,N-dimethyl- [ACD/Index Name]
N-[5-Chlor-2-({4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl}carbonyl)phenyl]-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-[5-Chloro-2-({4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl}carbonyl)phenyl]-4-fluorobenzamide [ACD/IUPAC Name]
N-[5-Chloro-2-({4-[2-(diméthylamino)-2-oxoéthyl]-1-pipérazinyl}carbonyl)phényl]-4-fluorobenzamide [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: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.0±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.78
ACD/KOC (pH 5.5): 438.35
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.65
ACD/KOC (pH 7.4): 449.30
Polar Surface Area: 73 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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