4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide

C₁₂H₁₂INO₂ — CID 150916314

About 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide

4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide (PubChem CID 150916314) has the molecular formula C₁₂H₁₂INO₂ and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide.

Molecular Properties

• Compound Name: 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
• PubChem CID: 150916314
• Molecular Formula: C₁₂H₁₂INO₂
• Molecular Weight: 329.14 g/mol
• Exact Mass: 328.99
• IUPAC Name: 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
• SMILES: C=C(C)C(=O)c1cc(I)ccc1C(=O)NC
• InChI: InChI=1S/C12H12INO2/c1-7(2)11(15)10-6-8(13)4-5-9(10)12(16)14-3/h4-6H,1H2,2-3H3,(H,14,16)
• InChIKey: LDBMKSIANMEXSS-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.14
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?

The IUPAC name of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide (CID 150916314) is 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide.

What is the SMILES notation for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?

The canonical SMILES for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide is C=C(C)C(=O)c1cc(I)ccc1C(=O)NC.

What is the InChIKey of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?

The InChIKey is LDBMKSIANMEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c1-7(2)11(15)10-6-8(13)4-5-9(10)12(16)14-3/h4-6H,1H2,2-3H3,(H,14,16).

What are the key properties of 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide?

4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide has a molecular weight of 329.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide is sourced from PubChem (CID 150916314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150916314 — identifiers, structure, computed properties (public domain)

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