2-chloro-N-cyclohexyl-N-propan-2-ylacetamide

C11H20ClNO — CID 3159572

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

About 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide

2-chloro-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 3159572) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID3159572
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-chloro-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyVJDJNQLXGQNHBP-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-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide (CID 3159572) is 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is VJDJNQLXGQNHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-propan-2-ylacetamide?
2-chloro-N-cyclohexyl-N-propan-2-ylacetamide 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-propan-2-ylacetamide is sourced from PubChem (CID 3159572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).