5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide

C13H23Cl2NO — CID 57272063

IUPAC5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide
SMILESNC(=O)CC(CCCl)(CCCl)C1CCCCC1
InChIInChI=1S/C13H23Cl2NO/c14-8-6-13(7-9-15,10-12(16)17)11-4-2-1-3-5-11/h11H,1-10H2,(H2,16,17)
InChIKeySXVZTKWIAVRJTK-UHFFFAOYSA-N
MW280.24 g/mol
LogP3.69
Rot. Bonds7

About 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide

5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide (PubChem CID 57272063) has the molecular formula C13H23Cl2NO and a molecular weight of 280.24 g/mol. Its IUPAC name is 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide.

Molecular Properties

Compound Name5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide
PubChem CID57272063
Molecular FormulaC13H23Cl2NO
Molecular Weight280.24 g/mol
Exact Mass279.12
IUPAC Name5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide
SMILESNC(=O)CC(CCCl)(CCCl)C1CCCCC1
InChIInChI=1S/C13H23Cl2NO/c14-8-6-13(7-9-15,10-12(16)17)11-4-2-1-3-5-11/h11H,1-10H2,(H2,16,17)
InChIKeySXVZTKWIAVRJTK-UHFFFAOYSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide?
The IUPAC name of 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide (CID 57272063) is 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide.
What is the SMILES notation for 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide?
The canonical SMILES for 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide is NC(=O)CC(CCCl)(CCCl)C1CCCCC1.
What is the InChIKey of 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide?
The InChIKey is SXVZTKWIAVRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2NO/c14-8-6-13(7-9-15,10-12(16)17)11-4-2-1-3-5-11/h11H,1-10H2,(H2,16,17).
What are the key properties of 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide?
5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide has a molecular weight of 280.24 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide is sourced from PubChem (CID 57272063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).