2-chloro-N-ethyl-N-hexylacetamide

C10H20ClNO — CID 91693905

IUPAC2-chloro-N-ethyl-N-hexylacetamide
SMILESCCCCCCN(CC)C(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-3-5-6-7-8-12(4-2)10(13)9-11/h3-9H2,1-2H3
InChIKeyCJVHBUCGKGZYBI-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.65
Rot. Bonds7

About 2-chloro-N-ethyl-N-hexylacetamide

2-chloro-N-ethyl-N-hexylacetamide (PubChem CID 91693905) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-hexylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-hexylacetamide
PubChem CID91693905
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-ethyl-N-hexylacetamide
SMILESCCCCCCN(CC)C(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-3-5-6-7-8-12(4-2)10(13)9-11/h3-9H2,1-2H3
InChIKeyCJVHBUCGKGZYBI-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-hexylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-hexylacetamide (CID 91693905) is 2-chloro-N-ethyl-N-hexylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-hexylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-hexylacetamide is CCCCCCN(CC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-hexylacetamide?
The InChIKey is CJVHBUCGKGZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-5-6-7-8-12(4-2)10(13)9-11/h3-9H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-hexylacetamide?
2-chloro-N-ethyl-N-hexylacetamide has a molecular weight of 205.73 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-hexylacetamide is sourced from PubChem (CID 91693905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).