2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide

C12H16BrNO2 — CID 894150

IUPAC2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
SMILESCCc1ccc(OCC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-4-9-5-6-11(10(13)7-9)16-8-12(15)14(2)3/h5-7H,4,8H2,1-3H3
InChIKeyXNLUHJGNDMVUHD-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide

2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide (PubChem CID 894150) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
PubChem CID894150
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
SMILESCCc1ccc(OCC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-4-9-5-6-11(10(13)7-9)16-8-12(15)14(2)3/h5-7H,4,8H2,1-3H3
InChIKeyXNLUHJGNDMVUHD-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
CID 60623792
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
(2R)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667705
2-(2-bromo-4-ethylphenoxy)-N-(2-cyanoethyl)-N-(2-phenylethyl)acetamide
CID 54790502
(2-bromo-4-ethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 23011150
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide (CID 894150) is 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide is CCc1ccc(OCC(=O)N(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide?
The InChIKey is XNLUHJGNDMVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-9-5-6-11(10(13)7-9)16-8-12(15)14(2)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide?
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 894150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).