2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide

C16H22BrNO2 — CID 832638

IUPAC2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide
SMILESCCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO2/c1-2-12-8-9-15(14(17)10-12)20-11-16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19)
InChIKeyMCIAIRCWHKSDFA-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide

2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide (PubChem CID 832638) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide
PubChem CID832638
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide
SMILESCCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO2/c1-2-12-8-9-15(14(17)10-12)20-11-16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19)
InChIKeyMCIAIRCWHKSDFA-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide (CID 832638) is 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide is CCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide?
The InChIKey is MCIAIRCWHKSDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-12-8-9-15(14(17)10-12)20-11-16(19)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide?
2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide has a molecular weight of 340.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 832638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).