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Search term: XEKFYHAGPSXSNU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[1-(3,4-Difluorophenyl)ethyl]-4-(4-isopropyl-1-piperazinyl)-N-methylbenzamide | C23H29F2N3O

N-[1-(3,4-Difluorophenyl)ethyl]-4-(4-isopropyl-1-piperazinyl)-N-methylbenzamide

  • Molecular FormulaC23H29F2N3O
  • Average mass401.493 Da
  • Monoisotopic mass401.227875 Da
  • ChemSpider ID34319390

More details:

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

Benzamide, N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-[4-(1-methylethyl)-1-piperazinyl]- [ACD/Index Name]
N-[1-(3,4-Difluorophenyl)ethyl]-4-(4-isopropyl-1-piperazinyl)-N-methylbenzamide [ACD/IUPAC Name]
N-[1-(3,4-Difluorophényl)éthyl]-4-(4-isopropyl-1-pipérazinyl)-N-méthylbenzamide [French] [ACD/IUPAC Name]
N-[1-(3,4-Difluorphenyl)ethyl]-4-(4-isopropyl-1-piperazinyl)-N-methylbenzamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 15.65
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 118.10
ACD/KOC (pH 7.4): 758.66
Polar Surface Area: 27 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 346.5±3.0 cm3

Click to predict properties on the Chemicalize site


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