5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C24H22ClN3O2 — CID 78452183

About 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 78452183) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 78452183
• Molecular Formula: C24H22ClN3O2
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.14
• IUPAC Name: 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: O=C(Nc1ccccc1)N1CC2CC(C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2
• InChI: InChI=1S/C24H22ClN3O2/c25-19-8-6-17(7-9-19)21-10-11-22-18-12-16(14-28(22)23(21)29)13-27(15-18)24(30)26-20-4-2-1-3-5-20/h1-11,16,18H,12-15H2,(H,26,30)
• InChIKey: DNRVWBVXLPNGSN-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 78452183) is 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is O=C(Nc1ccccc1)N1CC2CC(C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2.

What is the InChIKey of 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is DNRVWBVXLPNGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-19-8-6-17(7-9-19)21-10-11-22-18-12-16(14-28(22)23(21)29)13-27(15-18)24(30)26-20-4-2-1-3-5-20/h1-11,16,18H,12-15H2,(H,26,30).

What are the key properties of 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-6-oxo-N-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 78452183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).