5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide

C12H21Cl2NO2 — CID 91692686

IUPAC5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide
SMILESCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3
InChIKeyFDICVUWDKJOUOM-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.18
Rot. Bonds9

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

5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide (PubChem CID 91692686) has the molecular formula C12H21Cl2NO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide
PubChem CID91692686
Molecular FormulaC12H21Cl2NO2
Molecular Weight282.21 g/mol
Exact Mass281.09
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide
SMILESCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3
InChIKeyFDICVUWDKJOUOM-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.18
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'}

Analyze 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide (CID 91692686) is 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide is CCN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide?
The InChIKey is FDICVUWDKJOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide?
5-chloro-N-(5-chloropentanoyl)-N-ethylpentanamide has a molecular weight of 282.21 g/mol, XLogP of 3.18, 9 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-ethylpentanamide is sourced from PubChem (CID 91692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).