N-(2-bromo-5-methylphenyl)-2-methylpentanamide

C₁₃H₁₈BrNO — CID 82706265

About N-(2-bromo-5-methylphenyl)-2-methylpentanamide

N-(2-bromo-5-methylphenyl)-2-methylpentanamide (PubChem CID 82706265) has the molecular formula C₁₃H₁₈BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-methylpentanamide.

Molecular Properties

• Compound Name: N-(2-bromo-5-methylphenyl)-2-methylpentanamide
• PubChem CID: 82706265
• Molecular Formula: C₁₃H₁₈BrNO
• Molecular Weight: 284.20 g/mol
• Exact Mass: 283.06
• IUPAC Name: N-(2-bromo-5-methylphenyl)-2-methylpentanamide
• SMILES: CCCC(C)C(=O)Nc1cc(C)ccc1Br
• InChI: InChI=1S/C13H18BrNO/c1-4-5-10(3)13(16)15-12-8-9(2)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
• InChIKey: JGWXUUCPAIHQMF-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.20
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?

The IUPAC name of N-(2-bromo-5-methylphenyl)-2-methylpentanamide (CID 82706265) is N-(2-bromo-5-methylphenyl)-2-methylpentanamide.

What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-methylpentanamide?

The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(C)ccc1Br.

What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?

The InChIKey is JGWXUUCPAIHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-5-10(3)13(16)15-12-8-9(2)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16).

What are the key properties of N-(2-bromo-5-methylphenyl)-2-methylpentanamide?

N-(2-bromo-5-methylphenyl)-2-methylpentanamide has a molecular weight of 284.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-5-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 82706265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82706265 — identifiers, structure, computed properties (public domain)

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