2-chloro-N-(2,2-dimethylcyclopentyl)acetamide

C9H16ClNO — CID 79872044

IUPAC2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
SMILESCC1(C)CCCC1NC(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-9(2)5-3-4-7(9)11-8(12)6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyYTUMGHPBKSWGHN-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide

2-chloro-N-(2,2-dimethylcyclopentyl)acetamide (PubChem CID 79872044) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
PubChem CID79872044
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
SMILESCC1(C)CCCC1NC(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-9(2)5-3-4-7(9)11-8(12)6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyYTUMGHPBKSWGHN-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
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

3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
4-amino-N-(2,2-dimethylcyclopentyl)-4-methylpentanamide
CID 79878624
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
N-(2,2-dimethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605525
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide (CID 79872044) is 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide is CC1(C)CCCC1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide?
The InChIKey is YTUMGHPBKSWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2)5-3-4-7(9)11-8(12)6-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide?
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclopentyl)acetamide is sourced from PubChem (CID 79872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).