5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide

C11H19Cl2NO2 — CID 91692657

IUPAC5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C11H19Cl2NO2/c1-14(10(15)6-2-4-8-12)11(16)7-3-5-9-13/h2-9H2,1H3
InChIKeyWKRJIWWEFMBRLZ-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.79
Rot. Bonds8

About 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide

5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide (PubChem CID 91692657) has the molecular formula C11H19Cl2NO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide
PubChem CID91692657
Molecular FormulaC11H19Cl2NO2
Molecular Weight268.18 g/mol
Exact Mass267.08
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide
SMILESCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C11H19Cl2NO2/c1-14(10(15)6-2-4-8-12)11(16)7-3-5-9-13/h2-9H2,1H3
InChIKeyWKRJIWWEFMBRLZ-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-chloropentanoyl)-N-methylpentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide (CID 91692657) is 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide is CN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide?
The InChIKey is WKRJIWWEFMBRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO2/c1-14(10(15)6-2-4-8-12)11(16)7-3-5-9-13/h2-9H2,1H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide?
5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide has a molecular weight of 268.18 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloropentanoyl)-N-methylpentanamide is sourced from PubChem (CID 91692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).