2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide

C12H12BrNO2 — CID 4904344

IUPAC2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(N)=O)c(Br)oc2c1
InChIInChI=1S/C12H12BrNO2/c1-6-3-7(2)11-8(5-10(14)15)12(13)16-9(11)4-6/h3-4H,5H2,1-2H3,(H2,14,15)
InChIKeyQZELHXUSIHJPJW-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide

2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 4904344) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID4904344
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(N)=O)c(Br)oc2c1
InChIInChI=1S/C12H12BrNO2/c1-6-3-7(2)11-8(5-10(14)15)12(13)16-9(11)4-6/h3-4H,5H2,1-2H3,(H2,14,15)
InChIKeyQZELHXUSIHJPJW-UHFFFAOYSA-N
XLogP2.84
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
CID 4912381
3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid
CID 84620641
3-chloro-4,6-dimethyl-1-benzofuran-2-carboxylic acid
CID 141393833
ethyl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506
3-(chloromethyl)-4,5,7-trimethylchromen-2-one
CID 12868232
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride
CID 82020794
1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
CID 65426315
2-(2-bromo-5-methylphenyl)acetamide
CID 71440517
2-(2-bromo-4-methylphenyl)acetamide
CID 158519264
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 4904344) is 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(N)=O)c(Br)oc2c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is QZELHXUSIHJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-6-3-7(2)11-8(5-10(14)15)12(13)16-9(11)4-6/h3-4H,5H2,1-2H3,(H2,14,15).
What are the key properties of 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 282.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 4904344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).