N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide

C12H22ClNO — CID 114305487

IUPACN-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
SMILESCC(C)C(CCl)NC(=O)CC1CCCC1
InChIInChI=1S/C12H22ClNO/c1-9(2)11(8-13)14-12(15)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyWLPWWCHMNCQTHU-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide

N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide (PubChem CID 114305487) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
PubChem CID114305487
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
SMILESCC(C)C(CCl)NC(=O)CC1CCCC1
InChIInChI=1S/C12H22ClNO/c1-9(2)11(8-13)14-12(15)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyWLPWWCHMNCQTHU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
CID 106354818
2-cyclobutyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103164734
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide
CID 169194388
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide (CID 114305487) is N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide is CC(C)C(CCl)NC(=O)CC1CCCC1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The InChIKey is WLPWWCHMNCQTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-9(2)11(8-13)14-12(15)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide?
N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 114305487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).