N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide

C15H28ClNO — CID 115363870

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-9-14(18)17-13-15(12-16)10-7-8-11-15/h2-13H2,1H3,(H,17,18)
InChIKeyUSUQSLCCYDGUBX-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.26
Rot. Bonds9

About N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide

N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide (PubChem CID 115363870) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
PubChem CID115363870
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-9-14(18)17-13-15(12-16)10-7-8-11-15/h2-13H2,1H3,(H,17,18)
InChIKeyUSUQSLCCYDGUBX-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide (CID 115363870) is N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide is CCCCCCCC(=O)NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide?
The InChIKey is USUQSLCCYDGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-2-3-4-5-6-9-14(18)17-13-15(12-16)10-7-8-11-15/h2-13H2,1H3,(H,17,18).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide has a molecular weight of 273.85 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide is sourced from PubChem (CID 115363870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).