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

C16H10BrN3O2 — CID 112527825

IUPAC6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H10BrN3O2/c17-10-6-5-9-7-14(22-13(9)8-10)16(21)18-15-11-3-1-2-4-12(11)19-20-15/h1-8H,(H2,18,19,20,21)
InChIKeyMTKYBVKVOAVTPR-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.32
Rot. Bonds2

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

6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 112527825) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID112527825
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H10BrN3O2/c17-10-6-5-9-7-14(22-13(9)8-10)16(21)18-15-11-3-1-2-4-12(11)19-20-15/h1-8H,(H2,18,19,20,21)
InChIKeyMTKYBVKVOAVTPR-UHFFFAOYSA-N
XLogP4.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide (CID 112527825) is 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is MTKYBVKVOAVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-10-6-5-9-7-14(22-13(9)8-10)16(21)18-15-11-3-1-2-4-12(11)19-20-15/h1-8H,(H2,18,19,20,21).
What are the key properties of 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide?
6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 356.18 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112527825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).