2-(2-bromo-4-propan-2-ylphenoxy)acetamide

C11H14BrNO2 — CID 894118

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(N)=O)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-7(2)8-3-4-10(9(12)5-8)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyMXICTBBJVKMCCF-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-bromo-4-propan-2-ylphenoxy)acetamide

2-(2-bromo-4-propan-2-ylphenoxy)acetamide (PubChem CID 894118) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)acetamide
PubChem CID894118
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(N)=O)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-7(2)8-3-4-10(9(12)5-8)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyMXICTBBJVKMCCF-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
(2S)-2-(2-bromo-4-propan-2-ylphenoxy)propanoic acid
CID 42207548
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132662181
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1312635
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
[[amino(pyridin-3-yl)methylidene]amino] 2-(2-bromo-4-propan-2-ylphenoxy)acetate
CID 2942968
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202118

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)acetamide (CID 894118) is 2-(2-bromo-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(N)=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)acetamide?
The InChIKey is MXICTBBJVKMCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)8-3-4-10(9(12)5-8)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)acetamide has a molecular weight of 272.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 894118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).