1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone

C10H8BrNO2 — CID 84708021

IUPAC1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)cc(N)c2o1
InChIInChI=1S/C10H8BrNO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,12H2,1H3
InChIKeyZNGFZKKCQOSGFM-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.98
Rot. Bonds1

About 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone

1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone (PubChem CID 84708021) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone
PubChem CID84708021
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)cc(N)c2o1
InChIInChI=1S/C10H8BrNO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,12H2,1H3
InChIKeyZNGFZKKCQOSGFM-UHFFFAOYSA-N
XLogP2.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 21481497
methyl 5-bromo-7-methyl-1-benzofuran-2-carboxylate
CID 131285670
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
CID 15350193
5,7-dibromo-1-benzofuran-2-carboxylate
CID 7062553
1-(5,7-diiodo-1-benzofuran-2-yl)ethanone
CID 118140671
ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
CID 70977027
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
CID 65428211
(5-bromo-7-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115962562
1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone
CID 90418373
(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone
CID 2728236
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone (CID 84708021) is 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(Br)cc(N)c2o1.
What is the InChIKey of 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone?
The InChIKey is ZNGFZKKCQOSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,12H2,1H3.
What are the key properties of 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone?
1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone has a molecular weight of 254.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-5-bromo-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 84708021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).