5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide

C12H22ClNO — CID 81393682

IUPAC5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
SMILESC[C@H](NC(=O)CCCCCl)C1CCCC1
InChIInChI=1S/C12H22ClNO/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYKJQOGMXCVWXSV-JTQLQIEISA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds6

About 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide

5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide (PubChem CID 81393682) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
PubChem CID81393682
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
SMILESC[C@H](NC(=O)CCCCCl)C1CCCC1
InChIInChI=1S/C12H22ClNO/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYKJQOGMXCVWXSV-JTQLQIEISA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
5-chloro-N-cyclooctylpentanamide
CID 28733608
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide (CID 81393682) is 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide is C[C@H](NC(=O)CCCCCl)C1CCCC1.
What is the InChIKey of 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide?
The InChIKey is YKJQOGMXCVWXSV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22ClNO/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13/h10-11H,2-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide?
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide is sourced from PubChem (CID 81393682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).