5-chloro-N-cyclooctylpentanamide

C13H24ClNO — CID 28733608

IUPAC5-chloro-N-cyclooctylpentanamide
SMILESO=C(CCCCCl)NC1CCCCCCC1
InChIInChI=1S/C13H24ClNO/c14-11-7-6-10-13(16)15-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyRRDBLGLTDGXODW-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.62
Rot. Bonds5

About 5-chloro-N-cyclooctylpentanamide

5-chloro-N-cyclooctylpentanamide (PubChem CID 28733608) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 5-chloro-N-cyclooctylpentanamide.

Molecular Properties

Compound Name5-chloro-N-cyclooctylpentanamide
PubChem CID28733608
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name5-chloro-N-cyclooctylpentanamide
SMILESO=C(CCCCCl)NC1CCCCCCC1
InChIInChI=1S/C13H24ClNO/c14-11-7-6-10-13(16)15-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyRRDBLGLTDGXODW-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.62
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

3-chloro-N-cycloheptylpropanamide
CID 5152151
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
5-chloro-N-(oxan-3-yl)pentanamide
CID 63363269
2-chloro-N-cyclododecylacetamide
CID 4285747
N,N'-dicyclopropyldecanediamide
CID 4668836
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclooctylpentanamide?
The IUPAC name of 5-chloro-N-cyclooctylpentanamide (CID 28733608) is 5-chloro-N-cyclooctylpentanamide.
What is the SMILES notation for 5-chloro-N-cyclooctylpentanamide?
The canonical SMILES for 5-chloro-N-cyclooctylpentanamide is O=C(CCCCCl)NC1CCCCCCC1.
What is the InChIKey of 5-chloro-N-cyclooctylpentanamide?
The InChIKey is RRDBLGLTDGXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-11-7-6-10-13(16)15-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16).
What are the key properties of 5-chloro-N-cyclooctylpentanamide?
5-chloro-N-cyclooctylpentanamide has a molecular weight of 245.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclooctylpentanamide is sourced from PubChem (CID 28733608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).