1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone

C13H14BrNO3 — CID 170895586

IUPAC1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone
SMILESCOc1ccc(Br)c2cc(C(=O)CN(C)C)oc12
InChIInChI=1S/C13H14BrNO3/c1-15(2)7-10(16)12-6-8-9(14)4-5-11(17-3)13(8)18-12/h4-6H,7H2,1-3H3
InChIKeyKWROOEQBYIQLOO-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone

1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone (PubChem CID 170895586) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone
PubChem CID170895586
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone
SMILESCOc1ccc(Br)c2cc(C(=O)CN(C)C)oc12
InChIInChI=1S/C13H14BrNO3/c1-15(2)7-10(16)12-6-8-9(14)4-5-11(17-3)13(8)18-12/h4-6H,7H2,1-3H3
InChIKeyKWROOEQBYIQLOO-UHFFFAOYSA-N
XLogP2.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4,7-dimethoxy-1-benzofuran-2-carboxamide
CID 163459756
2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone
CID 170895581
4-bromo-7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran
CID 18526067
1-(3-bromo-4-methoxyphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051214
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
CID 102137910
4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
CID 86051374
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
CID 84729253
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone (CID 170895586) is 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone is COc1ccc(Br)c2cc(C(=O)CN(C)C)oc12.
What is the InChIKey of 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone?
The InChIKey is KWROOEQBYIQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-15(2)7-10(16)12-6-8-9(14)4-5-11(17-3)13(8)18-12/h4-6H,7H2,1-3H3.
What are the key properties of 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone?
1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone has a molecular weight of 312.16 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-7-methoxy-1-benzofuran-2-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 170895586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).