5-chloro-N-heptylpentanamide

C12H24ClNO — CID 91732475

IUPAC5-chloro-N-heptylpentanamide
SMILESCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-2-3-4-5-8-11-14-12(15)9-6-7-10-13/h2-11H2,1H3,(H,14,15)
InChIKeyZBRRTJYSGRPGFO-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.48
Rot. Bonds10

About 5-chloro-N-heptylpentanamide

5-chloro-N-heptylpentanamide (PubChem CID 91732475) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 5-chloro-N-heptylpentanamide.

Molecular Properties

Compound Name5-chloro-N-heptylpentanamide
PubChem CID91732475
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name5-chloro-N-heptylpentanamide
SMILESCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C12H24ClNO/c1-2-3-4-5-8-11-14-12(15)9-6-7-10-13/h2-11H2,1H3,(H,14,15)
InChIKeyZBRRTJYSGRPGFO-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.48
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-heptylpentanamide?
The IUPAC name of 5-chloro-N-heptylpentanamide (CID 91732475) is 5-chloro-N-heptylpentanamide.
What is the SMILES notation for 5-chloro-N-heptylpentanamide?
The canonical SMILES for 5-chloro-N-heptylpentanamide is CCCCCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-heptylpentanamide?
The InChIKey is ZBRRTJYSGRPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-2-3-4-5-8-11-14-12(15)9-6-7-10-13/h2-11H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-heptylpentanamide?
5-chloro-N-heptylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-heptylpentanamide is sourced from PubChem (CID 91732475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).