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

C12H22ClNO2 — CID 107941206

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C12H22ClNO2/c1-2-6-16-9-12(15)14-8-11-5-3-4-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyVQTVLYFJACTAFK-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.18
Rot. Bonds7

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

N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide (PubChem CID 107941206) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
PubChem CID107941206
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C12H22ClNO2/c1-2-6-16-9-12(15)14-8-11-5-3-4-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyVQTVLYFJACTAFK-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046
N-(2-cyclobutylethyl)-2-propoxyacetamide
CID 103747320
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107941722
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide (CID 107941206) is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide?
The InChIKey is VQTVLYFJACTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-2-6-16-9-12(15)14-8-11-5-3-4-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide has a molecular weight of 247.77 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 107941206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).