5-chloro-N-(2-cyclopentylethyl)pentanamide

C12H22ClNO — CID 60919806

IUPAC5-chloro-N-(2-cyclopentylethyl)pentanamide
SMILESO=C(CCCCCl)NCCC1CCCC1
InChIInChI=1S/C12H22ClNO/c13-9-4-3-7-12(15)14-10-8-11-5-1-2-6-11/h11H,1-10H2,(H,14,15)
InChIKeyIVQBTOKMTBNTRS-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds7

About 5-chloro-N-(2-cyclopentylethyl)pentanamide

5-chloro-N-(2-cyclopentylethyl)pentanamide (PubChem CID 60919806) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentylethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentylethyl)pentanamide
PubChem CID60919806
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name5-chloro-N-(2-cyclopentylethyl)pentanamide
SMILESO=C(CCCCCl)NCCC1CCCC1
InChIInChI=1S/C12H22ClNO/c13-9-4-3-7-12(15)14-10-8-11-5-1-2-6-11/h11H,1-10H2,(H,14,15)
InChIKeyIVQBTOKMTBNTRS-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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

Valeramide, 5-chloro-N-heptyl-
CID 91732475
N-(3-chloropropyl)cyclopentanecarboxamide
CID 17164604
Valeramide, 5-chloro-N-isobutyl-
CID 28733372
Valeramide, 5-chloro-N-(3-methylbutyl)-
CID 28733512
Valeramide, 5-chloro-N-(2-ethylhexyl)-
CID 61251666
9-Chloro-10 (ethylcarbamoyl)-octadecane
CID 129727440
n-(2-Chloroethyl)cyclohexanecarboxamide
CID 257672
N-[(2-chlorocyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 81934175
N-[2-(2-chloroethyl)pentyl]-4,4,4-trifluorobutanamide
CID 106117610
N-[(3-chlorocyclopentyl)methyl]-3,3,3-trifluoropropanamide
CID 106126212
N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide
CID 106127646
N-[(3-chlorocyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 114146891

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentylethyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-cyclopentylethyl)pentanamide (CID 60919806) is 5-chloro-N-(2-cyclopentylethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopentylethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-cyclopentylethyl)pentanamide is O=C(CCCCCl)NCCC1CCCC1.
What is the InChIKey of 5-chloro-N-(2-cyclopentylethyl)pentanamide?
The InChIKey is IVQBTOKMTBNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-9-4-3-7-12(15)14-10-8-11-5-1-2-6-11/h11H,1-10H2,(H,14,15).
What are the key properties of 5-chloro-N-(2-cyclopentylethyl)pentanamide?
5-chloro-N-(2-cyclopentylethyl)pentanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentylethyl)pentanamide is sourced from PubChem (CID 60919806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).