ChemSpider 2D Image | 4-Chloro-N-[3-(4-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-3-oxopropyl]benzamide | C22H24ClFN4O3

4-Chloro-N-[3-(4-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-3-oxopropyl]benzamide

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID21753252

More details:






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

1-Piperazineacetamide, 4-[3-[(4-chlorobenzoyl)amino]-1-oxopropyl]-N-(3-fluorophenyl)- [ACD/Index Name]
4-Chlor-N-[3-(4-{2-[(3-fluorphenyl)amino]-2-oxoethyl}-1-piperazinyl)-3-oxopropyl]benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-[3-(4-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-3-oxopropyl]benzamide [ACD/IUPAC Name]
4-Chloro-N-[3-(4-{2-[(3-fluorophényl)amino]-2-oxoéthyl}-1-pipérazinyl)-3-oxopropyl]benzamide [French] [ACD/IUPAC Name]
4-CHLORO-N-[3-(4-{[(3-FLUOROPHENYL)CARBAMOYL]METHYL}PIPERAZIN-1-YL)-3-OXOPROPYL]BENZAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 707.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.24
ACD/KOC (pH 5.5): 547.90
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.77
ACD/KOC (pH 7.4): 554.03
Polar Surface Area: 82 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 335.8±3.0 cm3

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