N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide

C₁₅H₁₂IN₃O₃ — CID 108530450

About N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide

N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide (PubChem CID 108530450) has the molecular formula C₁₅H₁₂IN₃O₃ and a molecular weight of 409.18 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide.

Molecular Properties

• Compound Name: N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
• PubChem CID: 108530450
• Molecular Formula: C₁₅H₁₂IN₃O₃
• Molecular Weight: 409.18 g/mol
• Exact Mass: 408.99
• IUPAC Name: N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
• SMILES: NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1
• InChI: InChI=1S/C15H12IN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22)
• InChIKey: LYYATAMRXCKFOQ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 101.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.18
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?

The IUPAC name of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide (CID 108530450) is N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide.

What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?

The canonical SMILES for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1.

What is the InChIKey of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?

The InChIKey is LYYATAMRXCKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22).

What are the key properties of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?

N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide has a molecular weight of 409.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide is sourced from PubChem (CID 108530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108530450 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.