2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide

C12H16BrNO2 — CID 803209

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyDSJYFKXMDMJUGW-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide (PubChem CID 803209) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
PubChem CID803209
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyDSJYFKXMDMJUGW-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide (CID 803209) is 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide is CCNC(=O)COc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide?
The InChIKey is DSJYFKXMDMJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 803209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).