2-chloro-N-cyclohexyl-2-cyclopentylacetamide

C13H22ClNO — CID 62224252

IUPAC2-chloro-N-cyclohexyl-2-cyclopentylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)C1CCCC1
InChIInChI=1S/C13H22ClNO/c14-12(10-6-4-5-7-10)13(16)15-11-8-2-1-3-9-11/h10-12H,1-9H2,(H,15,16)
InChIKeyXEDCREOHBLKNQI-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-cyclohexyl-2-cyclopentylacetamide

2-chloro-N-cyclohexyl-2-cyclopentylacetamide (PubChem CID 62224252) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-cyclopentylacetamide
PubChem CID62224252
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name2-chloro-N-cyclohexyl-2-cyclopentylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)C1CCCC1
InChIInChI=1S/C13H22ClNO/c14-12(10-6-4-5-7-10)13(16)15-11-8-2-1-3-9-11/h10-12H,1-9H2,(H,15,16)
InChIKeyXEDCREOHBLKNQI-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide
CID 107133565
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
N-cyclohexylcarbamoyl chloride
CID 22252134
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
N-cyclohexyl-2-silylpropanamide
CID 123581134
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
1-cyclobutyl-3-cyclohexylurea
CID 17217147
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-cyclopentylacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-cyclopentylacetamide (CID 62224252) is 2-chloro-N-cyclohexyl-2-cyclopentylacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-cyclopentylacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-cyclopentylacetamide is O=C(NC1CCCCC1)C(Cl)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-cyclopentylacetamide?
The InChIKey is XEDCREOHBLKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-12(10-6-4-5-7-10)13(16)15-11-8-2-1-3-9-11/h10-12H,1-9H2,(H,15,16).
What are the key properties of 2-chloro-N-cyclohexyl-2-cyclopentylacetamide?
2-chloro-N-cyclohexyl-2-cyclopentylacetamide has a molecular weight of 243.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-cyclopentylacetamide is sourced from PubChem (CID 62224252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).