N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide

C₁₄H₁₁ClINO₂ — CID 1047673

About N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide

N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide (PubChem CID 1047673) has the molecular formula C₁₄H₁₁ClINO₂ and a molecular weight of 387.60 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
• PubChem CID: 1047673
• Molecular Formula: C₁₄H₁₁ClINO₂
• Molecular Weight: 387.60 g/mol
• Exact Mass: 386.95
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
• SMILES: COc1ccc(Cl)cc1NC(=O)c1ccc(I)cc1
• InChI: InChI=1S/C14H11ClINO2/c1-19-13-7-4-10(15)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18)
• InChIKey: NSDCDPLDYAAIMW-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.60
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide (CID 1047673) is N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(I)cc1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide?

The InChIKey is NSDCDPLDYAAIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO2/c1-19-13-7-4-10(15)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide?

N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide has a molecular weight of 387.60 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide is sourced from PubChem (CID 1047673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1047673 — identifiers, structure, computed properties (public domain)

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