2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide

C11H19Cl2NO — CID 21403908

IUPAC2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(Cl)Cl)C1CCCCC1
InChIInChI=1S/C11H19Cl2NO/c1-8(2)14(11(15)10(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyZAHIKODBBYAPGX-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.36
Rot. Bonds3

About 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide

2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 21403908) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID21403908
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC Name2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(Cl)Cl)C1CCCCC1
InChIInChI=1S/C11H19Cl2NO/c1-8(2)14(11(15)10(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyZAHIKODBBYAPGX-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.36
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 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide (CID 21403908) is 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(C(=O)C(Cl)Cl)C1CCCCC1.
What is the InChIKey of 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is ZAHIKODBBYAPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-8(2)14(11(15)10(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide?
2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 252.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 21403908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).