6-bromo-1-benzofuran-3-carboxamide

C9H6BrNO2 — CID 119086109

IUPAC6-bromo-1-benzofuran-3-carboxamide
SMILESNC(=O)c1coc2cc(Br)ccc12
InChIInChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4H,(H2,11,12)
InChIKeyPVXCCIXRENOZRS-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.29
Rot. Bonds1

About 6-bromo-1-benzofuran-3-carboxamide

6-bromo-1-benzofuran-3-carboxamide (PubChem CID 119086109) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-bromo-1-benzofuran-3-carboxamide
PubChem CID119086109
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromo-1-benzofuran-3-carboxamide
SMILESNC(=O)c1coc2cc(Br)ccc12
InChIInChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4H,(H2,11,12)
InChIKeyPVXCCIXRENOZRS-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

6-bromo-1-benzofuran-3-carboxylic acid
CID 71743436
1-(6-bromo-1-benzofuran-3-yl)propan-2-one
CID 82623219
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
7-bromo-3-[(Z)-hydroxyiminomethyl]chromen-4-one
CID 98010064
7-bromo-3-(hydroxyiminomethyl)chromen-4-one
CID 112756211
7-bromochromen-4-one
CID 18686752
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 114907640
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
5-bromo-2-carbamoylbenzenesulfinic acid
CID 129046862
(7-acetyloxy-3-carbamoyl-4-oxochromen-6-yl) acetate
CID 149158228
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzofuran-3-carboxamide?
The IUPAC name of 6-bromo-1-benzofuran-3-carboxamide (CID 119086109) is 6-bromo-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-bromo-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-bromo-1-benzofuran-3-carboxamide is NC(=O)c1coc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-benzofuran-3-carboxamide?
The InChIKey is PVXCCIXRENOZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4H,(H2,11,12).
What are the key properties of 6-bromo-1-benzofuran-3-carboxamide?
6-bromo-1-benzofuran-3-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 6-bromo-1-benzofuran-3-carboxamide is sourced from PubChem (CID 119086109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).