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

C17H32ClNO — CID 114306695

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-12-17(20)19-14-16-11-9-10-15(16)13-18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyNIXXAKFXXSQUPN-UHFFFAOYSA-N
MW301.90 g/mol
LogP4.90
Rot. Bonds11

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

N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide (PubChem CID 114306695) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
PubChem CID114306695
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-12-17(20)19-14-16-11-9-10-15(16)13-18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyNIXXAKFXXSQUPN-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.90
LogP ≤ 54.90
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]octanamide
CID 113273844
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-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
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]decanamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide (CID 114306695) is N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide is CCCCCCCCCC(=O)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide?
The InChIKey is NIXXAKFXXSQUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-12-17(20)19-14-16-11-9-10-15(16)13-18/h15-16H,2-14H2,1H3,(H,19,20).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide has a molecular weight of 301.90 g/mol, XLogP of 4.90, 11 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]decanamide is sourced from PubChem (CID 114306695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).