2-chloro-N-cyclohexyl-N-ethylpropanamide

C11H20ClNO — CID 4666994

IUPAC2-chloro-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyZUNDGFTVHZWUAH-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-N-cyclohexyl-N-ethylpropanamide

2-chloro-N-cyclohexyl-N-ethylpropanamide (PubChem CID 4666994) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-ethylpropanamide
PubChem CID4666994
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-chloro-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyZUNDGFTVHZWUAH-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 2-chloro-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-ethylpropanamide (CID 4666994) is 2-chloro-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)C(C)Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is ZUNDGFTVHZWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-ethylpropanamide?
2-chloro-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 217.74 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 4666994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).