5-chloro-N-(5-methylhexyl)pentanamide

C12H24ClNO — CID 115325090

IUPAC5-chloro-N-(5-methylhexyl)pentanamide
SMILESCC(C)CCCCNC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-11(2)7-4-6-10-14-12(15)8-3-5-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyHQDLYSKNHWVEJE-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.34
Rot. Bonds9

About 5-chloro-N-(5-methylhexyl)pentanamide

5-chloro-N-(5-methylhexyl)pentanamide (PubChem CID 115325090) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 5-chloro-N-(5-methylhexyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-methylhexyl)pentanamide
PubChem CID115325090
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name5-chloro-N-(5-methylhexyl)pentanamide
SMILESCC(C)CCCCNC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-11(2)7-4-6-10-14-12(15)8-3-5-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyHQDLYSKNHWVEJE-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.34
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

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-hexyl-6-methylheptanamide
CID 141197249
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
N-butyl-7-methyloctanamide
CID 154028337
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-(5-chloropentyl)dodecanamide
CID 107321143
5-chloro-N-nonylpentanamide
CID 91692760
N-butyl-5-chloropentanamide
CID 28733165
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
3-(7-methyloctanoylamino)propanoic acid
CID 115729984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methylhexyl)pentanamide?
The IUPAC name of 5-chloro-N-(5-methylhexyl)pentanamide (CID 115325090) is 5-chloro-N-(5-methylhexyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(5-methylhexyl)pentanamide?
The canonical SMILES for 5-chloro-N-(5-methylhexyl)pentanamide is CC(C)CCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-methylhexyl)pentanamide?
The InChIKey is HQDLYSKNHWVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-11(2)7-4-6-10-14-12(15)8-3-5-9-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(5-methylhexyl)pentanamide?
5-chloro-N-(5-methylhexyl)pentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methylhexyl)pentanamide is sourced from PubChem (CID 115325090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).