2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide

C12H12BrNO2 — CID 4912381

IUPAC2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2oc(Br)c(CC(N)=O)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-7-3-4-10-8(5-7)9(6-11(14)15)12(13)16-10/h3-5H,2,6H2,1H3,(H2,14,15)
InChIKeyIMUCFTJRYGIAOL-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide

2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide (PubChem CID 4912381) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
PubChem CID4912381
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2oc(Br)c(CC(N)=O)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-7-3-4-10-8(5-7)9(6-11(14)15)12(13)16-10/h3-5H,2,6H2,1H3,(H2,14,15)
InChIKeyIMUCFTJRYGIAOL-UHFFFAOYSA-N
XLogP2.79
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
ethyl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 4904344
2-(3-methyl-1-benzofuran-5-yl)acetamide
CID 20824542
2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone
CID 156620519
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
2-(6-ethyl-4-methylquinolin-2-yl)acetamide
CID 82575332
5-bromo-4-ethylfuran-2-amine
CID 98774094
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
2-(8-ethyldibenzofuran-2-yl)propan-2-ol
CID 163920866

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide (CID 4912381) is 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide is CCc1ccc2oc(Br)c(CC(N)=O)c2c1.
What is the InChIKey of 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is IMUCFTJRYGIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-2-7-3-4-10-8(5-7)9(6-11(14)15)12(13)16-10/h3-5H,2,6H2,1H3,(H2,14,15).
What are the key properties of 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide?
2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 282.14 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 4912381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).