5-chloro-N-octylpentanamide

C13H26ClNO — CID 91692399

IUPAC5-chloro-N-octylpentanamide
SMILESCCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16)
InChIKeyRDGNMEAMKZMHMK-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.87
Rot. Bonds11

About 5-chloro-N-octylpentanamide

5-chloro-N-octylpentanamide (PubChem CID 91692399) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 5-chloro-N-octylpentanamide.

Molecular Properties

Compound Name5-chloro-N-octylpentanamide
PubChem CID91692399
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name5-chloro-N-octylpentanamide
SMILESCCCCCCCCNC(=O)CCCCCl
InChIInChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16)
InChIKeyRDGNMEAMKZMHMK-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.87
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-octylpentanamide?
The IUPAC name of 5-chloro-N-octylpentanamide (CID 91692399) is 5-chloro-N-octylpentanamide.
What is the SMILES notation for 5-chloro-N-octylpentanamide?
The canonical SMILES for 5-chloro-N-octylpentanamide is CCCCCCCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-octylpentanamide?
The InChIKey is RDGNMEAMKZMHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-octylpentanamide?
5-chloro-N-octylpentanamide has a molecular weight of 247.81 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-octylpentanamide is sourced from PubChem (CID 91692399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).