2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide 5240-65-3

Details:

Identification and Related Records
【Name】
N,N'-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
【Iupac name】
2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
【CAS Registry number】
5240-65-3
【Synonyms】
ST073470
5240-65-3
NSC241419
TimTec1_007149
AC1L8M19
HMS1554E21
NSC-241419
BAS 00394814
2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis-phenylamide
N-phenyl[3-(N-phenylcarbamoyl)bicyclo[2.2.1]hept-5-en-2-yl]carboxamide
【Molecular Formula】
C21H20N2O2 (Products with the same molecular formula)
【Molecular Weight】
332.3957
【Inchi】
InChI=1/C21H20N2O2/c24-20(22-16-7-3-1-4-8-16)18-14-11-12-15(13-14)19(18)21(25)23-17-9-5-2-6-10-17/h1-12,14-15,18-19H,13H2,(H,22,24)(H,23,25)
【Canonical SMILES】
C1C2C=CC1C(C2C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
【MOL File】
5240-65-3.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
626.6°C at 760 mmHg
【Refractive Index】
1.687
【Flash Point】
229.9°C
【Computed Properties】
Molecular Weight:332.3957 [g/mol]
Molecular Formula:C21H20N2O2
XLogP3-AA:3
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:6
Exact Mass:332.152478
MonoIsotopic Mass:332.152478
Topological Polar Surface Area:58.2
Heavy Atom Count:25
Formal Charge:0
Complexity:486
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:6.6
Conformer Sampling RMSD:0.8
CID Conformer Count:46