7-bromo-1-benzofuran-2-carboxamide

C9H6BrNO2 — CID 47331810

IUPAC7-bromo-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H2,11,12)
InChIKeyCGAAGVDRKYHIBB-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.29
Rot. Bonds1

About 7-bromo-1-benzofuran-2-carboxamide

7-bromo-1-benzofuran-2-carboxamide (PubChem CID 47331810) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-1-benzofuran-2-carboxamide
PubChem CID47331810
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name7-bromo-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H2,11,12)
InChIKeyCGAAGVDRKYHIBB-UHFFFAOYSA-N
XLogP2.29
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-1-benzofuran-2-carboxamide (CID 47331810) is 7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-1-benzofuran-2-carboxamide is NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is CGAAGVDRKYHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H2,11,12).
What are the key properties of 7-bromo-1-benzofuran-2-carboxamide?
7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 240.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47331810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).