2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide

C₁₃H₁₇BrClNO₃ — CID 115283555

About 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 115283555) has the molecular formula C₁₃H₁₇BrClNO₃ and a molecular weight of 350.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
• PubChem CID: 115283555
• Molecular Formula: C₁₃H₁₇BrClNO₃
• Molecular Weight: 350.64 g/mol
• Exact Mass: 349.01
• IUPAC Name: 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
• SMILES: CC(CCO)NC(=O)C(C)Oc1ccc(Cl)cc1Br
• InChI: InChI=1S/C13H17BrClNO3/c1-8(5-6-17)16-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18)
• InChIKey: HUYLLHYFUOBGCS-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.64
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?

The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide (CID 115283555) is 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide.

What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?

The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide is CC(CCO)NC(=O)C(C)Oc1ccc(Cl)cc1Br.

What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?

The InChIKey is HUYLLHYFUOBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO3/c1-8(5-6-17)16-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18).

What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?

2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 350.64 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 115283555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115283555 — identifiers, structure, computed properties (public domain)

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