N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide

C₁₇H₁₆ClNO₄ — CID 30350371

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 30350371) has the molecular formula C₁₇H₁₆ClNO₄ and a molecular weight of 333.77 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
• PubChem CID: 30350371
• Molecular Formula: C₁₇H₁₆ClNO₄
• Molecular Weight: 333.77 g/mol
• Exact Mass: 333.08
• IUPAC Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)NCCOc1ccc2c(c1)OCO2
• InChI: InChI=1S/C17H16ClNO4/c18-13-3-1-12(2-4-13)9-17(20)19-7-8-21-14-5-6-15-16(10-14)23-11-22-15/h1-6,10H,7-9,11H2,(H,19,20)
• InChIKey: CHCJMMXQWRYASY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.77
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide?

The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide (CID 30350371) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide.

What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide?

The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCCOc1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide?

The InChIKey is CHCJMMXQWRYASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-13-3-1-12(2-4-13)9-17(20)19-7-8-21-14-5-6-15-16(10-14)23-11-22-15/h1-6,10H,7-9,11H2,(H,19,20).

What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide?

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 333.77 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 30350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 30350371 — identifiers, structure, computed properties (public domain)

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