2-chloro-N-ethylacetamide;hydrochloride

C₄H₉Cl₂NO — CID 141251564

About 2-chloro-N-ethylacetamide;hydrochloride

2-chloro-N-ethylacetamide;hydrochloride (PubChem CID 141251564) has the molecular formula C₄H₉Cl₂NO and a molecular weight of 158.03 g/mol. Its IUPAC name is 2-chloro-N-ethylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N-ethylacetamide;hydrochloride
• PubChem CID: 141251564
• Molecular Formula: C₄H₉Cl₂NO
• Molecular Weight: 158.03 g/mol
• Exact Mass: 157.01
• IUPAC Name: 2-chloro-N-ethylacetamide;hydrochloride
• SMILES: CCNC(=O)CCl.Cl
• InChI: InChI=1S/C4H8ClNO.ClH/c1-2-6-4(7)3-5;/h2-3H2,1H3,(H,6,7);1H
• InChIKey: YKXLTKXGBDDASV-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.03
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylacetamide;hydrochloride?

The IUPAC name of 2-chloro-N-ethylacetamide;hydrochloride (CID 141251564) is 2-chloro-N-ethylacetamide;hydrochloride.

What is the SMILES notation for 2-chloro-N-ethylacetamide;hydrochloride?

The canonical SMILES for 2-chloro-N-ethylacetamide;hydrochloride is CCNC(=O)CCl.Cl.

What is the InChIKey of 2-chloro-N-ethylacetamide;hydrochloride?

The InChIKey is YKXLTKXGBDDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO.ClH/c1-2-6-4(7)3-5;/h2-3H2,1H3,(H,6,7);1H.

What are the key properties of 2-chloro-N-ethylacetamide;hydrochloride?

2-chloro-N-ethylacetamide;hydrochloride has a molecular weight of 158.03 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 141251564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141251564 — identifiers, structure, computed properties (public domain)

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