2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide

C11H12BrNO2 — CID 175908737

IUPAC2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
SMILESCc1cc(CC(N)=O)c2c(c1Br)CCO2
InChIInChI=1S/C11H12BrNO2/c1-6-4-7(5-9(13)14)11-8(10(6)12)2-3-15-11/h4H,2-3,5H2,1H3,(H2,13,14)
InChIKeyOWUBAZRVGROIIR-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.72
Rot. Bonds2

About 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide

2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide (PubChem CID 175908737) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
PubChem CID175908737
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
SMILESCc1cc(CC(N)=O)c2c(c1Br)CCO2
InChIInChI=1S/C11H12BrNO2/c1-6-4-7(5-9(13)14)11-8(10(6)12)2-3-15-11/h4H,2-3,5H2,1H3,(H2,13,14)
InChIKeyOWUBAZRVGROIIR-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 142236889
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 115796764
5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene
CID 134205934
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010612
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
1-(3-bromo-5-methylphenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796534
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115796884
N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
CID 144855943
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(oxan-2-yl)butan-2-one
CID 115796925
N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide (CID 175908737) is 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide is Cc1cc(CC(N)=O)c2c(c1Br)CCO2.
What is the InChIKey of 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The InChIKey is OWUBAZRVGROIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-4-7(5-9(13)14)11-8(10(6)12)2-3-15-11/h4H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide?
2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide has a molecular weight of 270.13 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide is sourced from PubChem (CID 175908737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).