ChemSpider 2D Image | N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide | C23H29FN2O

N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

  • Molecular FormulaC23H29FN2O
  • Average mass368.488 Da
  • Monoisotopic mass368.226379 Da
  • ChemSpider ID62962263

More details:

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

Butanamide, N-[4-(6-fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethyl- [ACD/Index Name]
N-[4-(6-Fluor-3,4-dihydro-2(1H)-isochinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinoléinyl)-2,6-diméthylphényl]-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide [ACD/IUPAC Name]
1009344-33-5 [RN]
Encukalner
KCNQ2/3 activator-1
N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.4±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1603.07
ACD/KOC (pH 5.5): 4814.90
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5374.75
ACD/KOC (pH 7.4): 16143.33
Polar Surface Area: 32 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 327.4±3.0 cm3

Click to predict properties on the Chemicalize site


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