2-chloro-2-cyano-N-cyclohexylacetamide

C9H13ClN2O — CID 12707164

IUPAC2-chloro-2-cyano-N-cyclohexylacetamide
SMILESN#CC(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C9H13ClN2O/c10-8(6-11)9(13)12-7-4-2-1-3-5-7/h7-8H,1-5H2,(H,12,13)
InChIKeyWJEXOXTVXRQRTL-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-2-cyano-N-cyclohexylacetamide

2-chloro-2-cyano-N-cyclohexylacetamide (PubChem CID 12707164) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-chloro-2-cyano-N-cyclohexylacetamide
PubChem CID12707164
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-2-cyano-N-cyclohexylacetamide
SMILESN#CC(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C9H13ClN2O/c10-8(6-11)9(13)12-7-4-2-1-3-5-7/h7-8H,1-5H2,(H,12,13)
InChIKeyWJEXOXTVXRQRTL-UHFFFAOYSA-N
XLogP1.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyano-N-cyclohexylacetamide
CID 706143
2-Chloro-N-cyclohexylacetamide
CID 222365
2-chloro-N-cyclohexylpropanamide
CID 3613317
2-chloro-N-cyclohexyl-2-fluoroacetamide
CID 23235145
2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride
CID 2964200
2,2-dichloro-N-cyclohexylacetamide
CID 243207
3-chloro-N-cyclohexylpropanamide
CID 5054395
2,3-dichloro-N-cyclohexylpropanamide
CID 20025788
2-chloro-N-cyclohexylbutanamide
CID 56977658
2-aminochloranuidyl-N-cyclohexylacetamide
CID 58120442
(2R)-2-aminochloranuidyl-N-cyclohexylbutanamide
CID 58418535
N-(4-aminocyclohexyl)-2-chloroacetamide
CID 62318891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyano-N-cyclohexylacetamide?
The IUPAC name of 2-chloro-2-cyano-N-cyclohexylacetamide (CID 12707164) is 2-chloro-2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for 2-chloro-2-cyano-N-cyclohexylacetamide?
The canonical SMILES for 2-chloro-2-cyano-N-cyclohexylacetamide is N#CC(Cl)C(=O)NC1CCCCC1.
What is the InChIKey of 2-chloro-2-cyano-N-cyclohexylacetamide?
The InChIKey is WJEXOXTVXRQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-8(6-11)9(13)12-7-4-2-1-3-5-7/h7-8H,1-5H2,(H,12,13).
What are the key properties of 2-chloro-2-cyano-N-cyclohexylacetamide?
2-chloro-2-cyano-N-cyclohexylacetamide has a molecular weight of 200.67 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 12707164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).