1-Naphthaleneacetamide

C₁₂H₁₁NO — CID 6861

About 1-Naphthaleneacetamide

1-Naphthaleneacetamide (PubChem CID 6861) has the molecular formula C₁₂H₁₁NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: 1-Naphthaleneacetamide
• PubChem CID: 6861
• Molecular Formula: C₁₂H₁₁NO
• Molecular Weight: 185.23 g/mol
• Exact Mass: 185.08
• IUPAC Name: 2-naphthalen-1-ylacetamide
• SMILES: NC(=O)Cc1cccc2ccccc12
• InChI: InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
• InChIKey: XFNJVKMNNVCYEK-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 43.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.23
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-Naphthaleneacetamide?

The IUPAC name of 1-Naphthaleneacetamide (CID 6861) is 2-naphthalen-1-ylacetamide.

What is the SMILES notation for 1-Naphthaleneacetamide?

The canonical SMILES for 1-Naphthaleneacetamide is NC(=O)Cc1cccc2ccccc12.

What is the InChIKey of 1-Naphthaleneacetamide?

The InChIKey is XFNJVKMNNVCYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14).

What are the key properties of 1-Naphthaleneacetamide?

1-Naphthaleneacetamide has a molecular weight of 185.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Naphthaleneacetamide is sourced from PubChem (CID 6861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6861 — identifiers, structure, computed properties (public domain)

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