ChemSpider 2D Image | N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2-(trifluoromethyl)benzamide | C21H19F3N2O

N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2-(trifluoromethyl)benzamide

  • Molecular FormulaC21H19F3N2O
  • Average mass372.384 Da
  • Monoisotopic mass372.144958 Da
  • ChemSpider ID30677578

More details:

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

Benzamide, N-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2-(trifluoromethyl)- [ACD/Index Name]
N-[4-(3,4-Dihydro-2(1H)-isochinolinyl)-2-butin-1-yl]-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[4-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-butyn-1-yl]-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-butyn-1-yl]-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
1351594-83-6 [RN]
N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)-2-(trifluoromethyl)benzamide
N-[4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-2-yn-1-yl]-2-(trifluoromethyl)benzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 248.24
ACD/KOC (pH 5.5): 1082.11
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1405.40
ACD/KOC (pH 7.4): 6126.29
Polar Surface Area: 32 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 299.5±3.0 cm3

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