N-(4-bromo-3-chlorophenyl)decanamide

C₁₆H₂₃BrClNO — CID 107620607

About N-(4-bromo-3-chlorophenyl)decanamide

N-(4-bromo-3-chlorophenyl)decanamide (PubChem CID 107620607) has the molecular formula C₁₆H₂₃BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)decanamide.

Molecular Properties

• Compound Name: N-(4-bromo-3-chlorophenyl)decanamide
• PubChem CID: 107620607
• Molecular Formula: C₁₆H₂₃BrClNO
• Molecular Weight: 360.72 g/mol
• Exact Mass: 359.07
• IUPAC Name: N-(4-bromo-3-chlorophenyl)decanamide
• SMILES: CCCCCCCCCC(=O)Nc1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C16H23BrClNO/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9H2,1H3,(H,19,20)
• InChIKey: RJEKCOYQZGAEMV-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.72
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)decanamide?

The IUPAC name of N-(4-bromo-3-chlorophenyl)decanamide (CID 107620607) is N-(4-bromo-3-chlorophenyl)decanamide.

What is the SMILES notation for N-(4-bromo-3-chlorophenyl)decanamide?

The canonical SMILES for N-(4-bromo-3-chlorophenyl)decanamide is CCCCCCCCCC(=O)Nc1ccc(Br)c(Cl)c1.

What is the InChIKey of N-(4-bromo-3-chlorophenyl)decanamide?

The InChIKey is RJEKCOYQZGAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9H2,1H3,(H,19,20).

What are the key properties of N-(4-bromo-3-chlorophenyl)decanamide?

N-(4-bromo-3-chlorophenyl)decanamide has a molecular weight of 360.72 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-chlorophenyl)decanamide is sourced from PubChem (CID 107620607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107620607 — identifiers, structure, computed properties (public domain)

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