3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide

C12H22ClNO — CID 79871536

IUPAC3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H22ClNO/c1-11(2)7-5-6-9(11)14-10(15)12(3,4)8-13/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyJXHCQNQSVVGXFG-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide

3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide (PubChem CID 79871536) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
PubChem CID79871536
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H22ClNO/c1-11(2)7-5-6-9(11)14-10(15)12(3,4)8-13/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyJXHCQNQSVVGXFG-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
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 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide (CID 79871536) is 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCCC1(C)C.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide?
The InChIKey is JXHCQNQSVVGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-11(2)7-5-6-9(11)14-10(15)12(3,4)8-13/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide?
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 79871536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).