N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide

C15H28ClNO — CID 113273844

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-10-15(18)17-12-14-9-7-8-13(14)11-16/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyLPHAJSUOOOWNCA-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds9

About N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide

N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide (PubChem CID 113273844) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
PubChem CID113273844
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-10-15(18)17-12-14-9-7-8-13(14)11-16/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyLPHAJSUOOOWNCA-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[(2-chlorocyclohexyl)methyl]decanamide
CID 114301448
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[(6-methylpiperidin-2-yl)methyl]octanamide
CID 62322643
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
12-hydroxy-N-[[(2S)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]methyl]octadecanamide
CID 159064476

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide (CID 113273844) is N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide is CCCCCCCC(=O)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide?
The InChIKey is LPHAJSUOOOWNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-2-3-4-5-6-10-15(18)17-12-14-9-7-8-13(14)11-16/h13-14H,2-12H2,1H3,(H,17,18).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide is sourced from PubChem (CID 113273844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).