3-Chloro-N-cyclobutyl-5-iodobenzamide

C₁₁H₁₁ClINO — CID 139600426

About 3-Chloro-N-cyclobutyl-5-iodobenzamide

3-Chloro-N-cyclobutyl-5-iodobenzamide (PubChem CID 139600426) has the molecular formula C₁₁H₁₁ClINO and a molecular weight of 335.57 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-5-iodobenzamide.

Molecular Properties

• Compound Name: 3-Chloro-N-cyclobutyl-5-iodobenzamide
• PubChem CID: 139600426
• Molecular Formula: C₁₁H₁₁ClINO
• Molecular Weight: 335.57 g/mol
• Exact Mass: 334.96
• IUPAC Name: 3-chloro-N-cyclobutyl-5-iodobenzamide
• SMILES: O=C(NC1CCC1)c1cc(Cl)cc(I)c1
• InChI: InChI=1S/C11H11ClINO/c12-8-4-7(5-9(13)6-8)11(15)14-10-2-1-3-10/h4-6,10H,1-3H2,(H,14,15)
• InChIKey: ULUDMRZGWBQXTP-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.57
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-Chloro-N-cyclobutyl-5-iodobenzamide?

The IUPAC name of 3-Chloro-N-cyclobutyl-5-iodobenzamide (CID 139600426) is 3-chloro-N-cyclobutyl-5-iodobenzamide.

What is the SMILES notation for 3-Chloro-N-cyclobutyl-5-iodobenzamide?

The canonical SMILES for 3-Chloro-N-cyclobutyl-5-iodobenzamide is O=C(NC1CCC1)c1cc(Cl)cc(I)c1.

What is the InChIKey of 3-Chloro-N-cyclobutyl-5-iodobenzamide?

The InChIKey is ULUDMRZGWBQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO/c12-8-4-7(5-9(13)6-8)11(15)14-10-2-1-3-10/h4-6,10H,1-3H2,(H,14,15).

What are the key properties of 3-Chloro-N-cyclobutyl-5-iodobenzamide?

3-Chloro-N-cyclobutyl-5-iodobenzamide has a molecular weight of 335.57 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Chloro-N-cyclobutyl-5-iodobenzamide is sourced from PubChem (CID 139600426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139600426 — identifiers, structure, computed properties (public domain)

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