2-chloro-N-cyclohexyl-N-ethylacetamide

C10H18ClNO — CID 2392399

IUPAC2-chloro-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyCUTKXXKVSDIVMV-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-N-cyclohexyl-N-ethylacetamide

2-chloro-N-cyclohexyl-N-ethylacetamide (PubChem CID 2392399) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-ethylacetamide
PubChem CID2392399
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyCUTKXXKVSDIVMV-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-ethylacetamide (CID 2392399) is 2-chloro-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-ethylacetamide?
The InChIKey is CUTKXXKVSDIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-ethylacetamide?
2-chloro-N-cyclohexyl-N-ethylacetamide has a molecular weight of 203.71 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 2392399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).