2-chloro-N-cyclopentyl-4,4-dimethylpentanamide

C12H22ClNO — CID 62966363

IUPAC2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Cl)C(=O)NC1CCCC1
InChIInChI=1S/C12H22ClNO/c1-12(2,3)8-10(13)11(15)14-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyGXVHSXNUXYNZGS-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide

2-chloro-N-cyclopentyl-4,4-dimethylpentanamide (PubChem CID 62966363) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
PubChem CID62966363
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Cl)C(=O)NC1CCCC1
InChIInChI=1S/C12H22ClNO/c1-12(2,3)8-10(13)11(15)14-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyGXVHSXNUXYNZGS-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
2-chloro-N-ethyl-4,4-dimethylpentanamide
CID 62966359
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
N-cyclohexyl-2-(2,2-dimethylpropylamino)propanamide
CID 61168818
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 97069973
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108505980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide (CID 62966363) is 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide is CC(C)(C)CC(Cl)C(=O)NC1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide?
The InChIKey is GXVHSXNUXYNZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-12(2,3)8-10(13)11(15)14-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide?
2-chloro-N-cyclopentyl-4,4-dimethylpentanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4,4-dimethylpentanamide is sourced from PubChem (CID 62966363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).