6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide

C17H11BrN2O2 — CID 112526905

IUPAC6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C17H11BrN2O2/c18-11-6-5-10-7-16(22-15(10)8-11)17(21)20-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21)
InChIKeyPXYJQTFRZILPAW-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.93
Rot. Bonds2

About 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide

6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 112526905) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID112526905
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C17H11BrN2O2/c18-11-6-5-10-7-16(22-15(10)8-11)17(21)20-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21)
InChIKeyPXYJQTFRZILPAW-UHFFFAOYSA-N
XLogP4.93
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
1H-indol-3-ylcarbamic acid
CID 66672709
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 84577117
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide (CID 112526905) is 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide is O=C(Nc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is PXYJQTFRZILPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c18-11-6-5-10-7-16(22-15(10)8-11)17(21)20-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21).
What are the key properties of 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide?
6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 355.19 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112526905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).