ChemSpider 2D Image | 2-{4-[2-({2-[4-(Difluoromethoxy)phenyl]ethyl}amino)-2-oxoethyl]-1-piperazinyl}-N-(4-fluorophenyl)acetamide | C23H27F3N4O3

2-{4-[2-({2-[4-(Difluoromethoxy)phenyl]ethyl}amino)-2-oxoethyl]-1-piperazinyl}-N-(4-fluorophenyl)acetamide

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID21963069

More details:

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

1,4-Piperazinediacetamide, N1-[2-[4-(difluoromethoxy)phenyl]ethyl]-N4-(4-fluorophenyl)- [ACD/Index Name]
2-{4-[2-({2-[4-(Difluormethoxy)phenyl]ethyl}amino)-2-oxoethyl]-1-piperazinyl}-N-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{4-[2-({2-[4-(Difluoromethoxy)phenyl]ethyl}amino)-2-oxoethyl]-1-piperazinyl}-N-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
2-{4-[2-({2-[4-(Difluorométhoxy)phényl]éthyl}amino)-2-oxoéthyl]-1-pipérazinyl}-N-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
N-{2-[4-(DIFLUOROMETHOXY)PHENYL]ETHYL}-2-(4-{[(4-FLUOROPHENYL)CARBAMOYL]METHYL}PIPERAZIN-1-YL)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: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 34.65
ACD/KOC (pH 5.5): 410.91
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.05
ACD/KOC (pH 7.4): 522.28
Polar Surface Area: 74 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 363.8±3.0 cm3

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