ChemSpider 2D Image | N-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-4-(3,4-dihydro-2(1H)-isoquinolinyl)benzamide | C28H29F2N3O

N-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-4-(3,4-dihydro-2(1H)-isoquinolinyl)benzamide

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID34304678

More details:

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

Benzamide, N-[1-[(3,4-difluorophenyl)methyl]-4-piperidinyl]-4-(3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
N-[1-(3,4-Difluorbenzyl)-4-piperidinyl]-4-(3,4-dihydro-2(1H)-isochinolinyl)benzamid [German] [ACD/IUPAC Name]
N-[1-(3,4-Difluorobenzyl)-4-pipéridinyl]-4-(3,4-dihydro-2(1H)-isoquinoléinyl)benzamide [French] [ACD/IUPAC Name]
N-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-4-(3,4-dihydro-2(1H)-isoquinolinyl)benzamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 24.67
ACD/KOC (pH 5.5): 123.53
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 625.13
ACD/KOC (pH 7.4): 3130.27
Polar Surface Area: 36 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

Click to predict properties on the Chemicalize site


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