5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide

C13H23Cl2NO2 — CID 91692693

IUPAC5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide
SMILESCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C13H23Cl2NO2/c1-2-11-16(12(17)7-3-5-9-14)13(18)8-4-6-10-15/h2-11H2,1H3
InChIKeyJSWOESKKUPNKHZ-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.57
Rot. Bonds10

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

5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide (PubChem CID 91692693) has the molecular formula C13H23Cl2NO2 and a molecular weight of 296.24 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide
PubChem CID91692693
Molecular FormulaC13H23Cl2NO2
Molecular Weight296.24 g/mol
Exact Mass295.11
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide
SMILESCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C13H23Cl2NO2/c1-2-11-16(12(17)7-3-5-9-14)13(18)8-4-6-10-15/h2-11H2,1H3
InChIKeyJSWOESKKUPNKHZ-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.57
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-propylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
Propanamide, N,N-dihexyl-3-chloro-
CID 533192
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, N,N-dihexyl-6-chloro-
CID 533344
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-methyl-
CID 91692657
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-pentyl-
CID 91692658
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-(3-methylbutyl)-
CID 91692659
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl-
CID 91692672
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl-
CID 91692686
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-hexyl-
CID 91692687
Hexanamide, 6-chloro-N-ethyl-N-isobutyl-
CID 91693797
Hexanamide, 6-chloro-N,N-diethyl-
CID 91693890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide (CID 91692693) is 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide is CCCN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide?
The InChIKey is JSWOESKKUPNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2NO2/c1-2-11-16(12(17)7-3-5-9-14)13(18)8-4-6-10-15/h2-11H2,1H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide?
5-chloro-N-(5-chloropentanoyl)-N-propylpentanamide has a molecular weight of 296.24 g/mol, XLogP of 3.57, 10 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-propylpentanamide is sourced from PubChem (CID 91692693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).