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

C10H18ClNO — CID 114306626

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
SMILESCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C10H18ClNO/c1-2-10(13)12-7-9-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyHBIJFWNVKYADPZ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.17
Rot. Bonds4

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

N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide (PubChem CID 114306626) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
PubChem CID114306626
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
SMILESCCC(=O)NCC1CCCC1CCl
InChIInChI=1S/C10H18ClNO/c1-2-10(13)12-7-9-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyHBIJFWNVKYADPZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.17
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]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide (CID 114306626) is N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide is CCC(=O)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide?
The InChIKey is HBIJFWNVKYADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-10(13)12-7-9-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide has a molecular weight of 203.71 g/mol, XLogP of 2.17, 4 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]propanamide is sourced from PubChem (CID 114306626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).