N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide

C14H24ClNO — CID 106366838

IUPACN-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCCCC1CCl
InChIInChI=1S/C14H24ClNO/c15-10-12-7-3-4-8-13(12)16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17)
InChIKeyMUKIMQDFTJJAJI-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide

N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide (PubChem CID 106366838) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
PubChem CID106366838
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCCCC1CCl
InChIInChI=1S/C14H24ClNO/c15-10-12-7-3-4-8-13(12)16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17)
InChIKeyMUKIMQDFTJJAJI-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.48
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-[2-(chloromethyl)cyclopentyl]-2-cyclopropylacetamide
CID 106365797
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
CID 106366717
N-(2-aminocyclopropyl)-2-cyclopentylacetamide
CID 60775753
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961
N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
CID 106366933
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
CID 106366815

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide (CID 106366838) is N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide?
The InChIKey is MUKIMQDFTJJAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-10-12-7-3-4-8-13(12)16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide?
N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide has a molecular weight of 257.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide is sourced from PubChem (CID 106366838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).