N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide

C13H22ClNO — CID 106444163

IUPACN-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NC1CCCC1Cl
InChIInChI=1S/C13H22ClNO/c14-11-6-3-7-12(11)15-13(16)9-8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)
InChIKeyODXPZJWXXQPJRT-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.23
Rot. Bonds4

About N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide

N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide (PubChem CID 106444163) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
PubChem CID106444163
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NC1CCCC1Cl
InChIInChI=1S/C13H22ClNO/c14-11-6-3-7-12(11)15-13(16)9-8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)
InChIKeyODXPZJWXXQPJRT-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.23
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

3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-cyclohexylpropanamide
CID 78910744
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-cyclopentyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340536
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-[2-(hydroxymethyl)cyclohexyl]-3-piperidin-4-ylpropanamide
CID 106361419
N-[2-(hydroxymethyl)cyclopentyl]-3-piperidin-4-ylpropanamide
CID 103876533

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide (CID 106444163) is N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide?
The InChIKey is ODXPZJWXXQPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-11-6-3-7-12(11)15-13(16)9-8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide?
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide has a molecular weight of 243.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 106444163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).