2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide

C15H20BrNO2 — CID 46771197

IUPAC2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyCNPUTHBQFRXSGV-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide

2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide (PubChem CID 46771197) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
PubChem CID46771197
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyCNPUTHBQFRXSGV-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-bromophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866038

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide (CID 46771197) is 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide is CN(C(=O)COc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide?
The InChIKey is CNPUTHBQFRXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide?
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide has a molecular weight of 326.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 46771197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).