3-chloro-N-cyclohexylpropanamide

C9H16ClNO — CID 5054395

IUPAC3-chloro-N-cyclohexylpropanamide
SMILESO=C(CCCl)NC1CCCCC1
InChIInChI=1S/C9H16ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyGPYXZWPPJXPZKP-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.06
Rot. Bonds3

About 3-chloro-N-cyclohexylpropanamide

3-chloro-N-cyclohexylpropanamide (PubChem CID 5054395) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-chloro-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexylpropanamide
PubChem CID5054395
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-chloro-N-cyclohexylpropanamide
SMILESO=C(CCCl)NC1CCCCC1
InChIInChI=1S/C9H16ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyGPYXZWPPJXPZKP-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-cyclohexylpropanamide 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 3-chloro-N-cyclohexylpropanamide?
The IUPAC name of 3-chloro-N-cyclohexylpropanamide (CID 5054395) is 3-chloro-N-cyclohexylpropanamide.
What is the SMILES notation for 3-chloro-N-cyclohexylpropanamide?
The canonical SMILES for 3-chloro-N-cyclohexylpropanamide is O=C(CCCl)NC1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexylpropanamide?
The InChIKey is GPYXZWPPJXPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12).
What are the key properties of 3-chloro-N-cyclohexylpropanamide?
3-chloro-N-cyclohexylpropanamide has a molecular weight of 189.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexylpropanamide is sourced from PubChem (CID 5054395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).