6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide

C15H8BrCl2NO2 — CID 112525306

IUPAC6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C15H8BrCl2NO2/c16-9-5-4-8-6-13(21-12(8)7-9)15(20)19-14-10(17)2-1-3-11(14)18/h1-7H,(H,19,20)
InChIKeyXAHFUBIEKLAPCP-UHFFFAOYSA-N
MW385.04 g/mol
LogP5.75
Rot. Bonds2

About 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide

6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 112525306) has the molecular formula C15H8BrCl2NO2 and a molecular weight of 385.04 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID112525306
Molecular FormulaC15H8BrCl2NO2
Molecular Weight385.04 g/mol
Exact Mass382.91
IUPAC Name6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C15H8BrCl2NO2/c16-9-5-4-8-6-13(21-12(8)7-9)15(20)19-14-10(17)2-1-3-11(14)18/h1-7H,(H,19,20)
InChIKeyXAHFUBIEKLAPCP-UHFFFAOYSA-N
XLogP5.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.04
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529403
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
CID 112526905
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 84577117
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide (CID 112525306) is 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is XAHFUBIEKLAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO2/c16-9-5-4-8-6-13(21-12(8)7-9)15(20)19-14-10(17)2-1-3-11(14)18/h1-7H,(H,19,20).
What are the key properties of 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide?
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 385.04 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112525306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).