14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

C27H19Cl2N3O3 — CID 3809752

About 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (PubChem CID 3809752) has the molecular formula C27H19Cl2N3O3 and a molecular weight of 504.37 g/mol. Its IUPAC name is 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

Molecular Properties

• Compound Name: 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• PubChem CID: 3809752
• Molecular Formula: C27H19Cl2N3O3
• Molecular Weight: 504.37 g/mol
• Exact Mass: 503.08
• IUPAC Name: 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• SMILES: O=C(Nc1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3Cl)C(=O)C2C2c3ccccc3C=CN12
• InChI: InChI=1S/C27H19Cl2N3O3/c28-16-9-11-17(12-10-16)30-25(33)24-22-21(23-18-6-2-1-5-15(18)13-14-31(23)24)26(34)32(27(22)35)20-8-4-3-7-19(20)29/h1-14,21-24H,(H,30,33)
• InChIKey: APGPFMWEWCRIEW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.37
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The IUPAC name of 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (CID 3809752) is 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

What is the SMILES notation for 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The canonical SMILES for 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is O=C(Nc1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3Cl)C(=O)C2C2c3ccccc3C=CN12.

What is the InChIKey of 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The InChIKey is APGPFMWEWCRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O3/c28-16-9-11-17(12-10-16)30-25(33)24-22-21(23-18-6-2-1-5-15(18)13-14-31(23)24)26(34)32(27(22)35)20-8-4-3-7-19(20)29/h1-14,21-24H,(H,30,33).

What are the key properties of 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide has a molecular weight of 504.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(2-chlorophenyl)-N-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is sourced from PubChem (CID 3809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).