Iodamide

C₁₂H₁₁I₃N₂O₄ — CID 3723

About Iodamide

Iodamide (PubChem CID 3723) has the molecular formula C₁₂H₁₁I₃N₂O₄ and a molecular weight of 627.94 g/mol. Its IUPAC name is 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid.

Molecular Properties

• Compound Name: Iodamide
• PubChem CID: 3723
• Molecular Formula: C₁₂H₁₁I₃N₂O₄
• Molecular Weight: 627.94 g/mol
• Exact Mass: 627.79
• IUPAC Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid
• SMILES: CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
• InChI: InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
• InChIKey: VVDGWALACJEJKG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 95.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.94
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Iodamide?

The IUPAC name of Iodamide (CID 3723) is 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid.

What is the SMILES notation for Iodamide?

The canonical SMILES for Iodamide is CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.

What is the InChIKey of Iodamide?

The InChIKey is VVDGWALACJEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).

What are the key properties of Iodamide?

Iodamide has a molecular weight of 627.94 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Iodamide is sourced from PubChem (CID 3723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3723 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1452 — approved-drug record (CC BY-SA 4.0)

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