5-chloro-N-hexylpentanamide

C11H22ClNO — CID 43346887

IUPAC5-chloro-N-hexylpentanamide
SMILESCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO/c1-2-3-4-7-10-13-11(14)8-5-6-9-12/h2-10H2,1H3,(H,13,14)
InChIKeyBAELMQSEJPMTLE-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.09
Rot. Bonds9

About 5-chloro-N-hexylpentanamide

5-chloro-N-hexylpentanamide (PubChem CID 43346887) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 5-chloro-N-hexylpentanamide.

Molecular Properties

Compound Name5-chloro-N-hexylpentanamide
PubChem CID43346887
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name5-chloro-N-hexylpentanamide
SMILESCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO/c1-2-3-4-7-10-13-11(14)8-5-6-9-12/h2-10H2,1H3,(H,13,14)
InChIKeyBAELMQSEJPMTLE-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexylpentanamide?
The IUPAC name of 5-chloro-N-hexylpentanamide (CID 43346887) is 5-chloro-N-hexylpentanamide.
What is the SMILES notation for 5-chloro-N-hexylpentanamide?
The canonical SMILES for 5-chloro-N-hexylpentanamide is CCCCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-hexylpentanamide?
The InChIKey is BAELMQSEJPMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-2-3-4-7-10-13-11(14)8-5-6-9-12/h2-10H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-hexylpentanamide?
5-chloro-N-hexylpentanamide has a molecular weight of 219.76 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexylpentanamide is sourced from PubChem (CID 43346887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).