2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide

C₁₇H₁₈ClNO₂ — CID 841196

About 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide (PubChem CID 841196) has the molecular formula C₁₇H₁₈ClNO₂ and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
• PubChem CID: 841196
• Molecular Formula: C₁₇H₁₈ClNO₂
• Molecular Weight: 303.79 g/mol
• Exact Mass: 303.10
• IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1
• InChI: InChI=1S/C17H18ClNO2/c1-3-13-4-6-14(7-5-13)19-17(20)11-21-15-8-9-16(18)12(2)10-15/h4-10H,3,11H2,1-2H3,(H,19,20)
• InChIKey: VZUAZOZVAQXXGN-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.79
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide?

The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide (CID 841196) is 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide.

What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide?

The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1.

What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide?

The InChIKey is VZUAZOZVAQXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-13-4-6-14(7-5-13)19-17(20)11-21-15-8-9-16(18)12(2)10-15/h4-10H,3,11H2,1-2H3,(H,19,20).

What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide?

2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 841196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 841196 — identifiers, structure, computed properties (public domain)

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