6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide

C16H12BrNO3 — CID 84576525

IUPAC6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H12BrNO3/c1-9-6-12(19)4-5-13(9)18-16(20)15-7-10-2-3-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20)
InChIKeyLQMPQMCXHUCWPD-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.46
Rot. Bonds2

About 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide

6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 84576525) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID84576525
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H12BrNO3/c1-9-6-12(19)4-5-13(9)18-16(20)15-7-10-2-3-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20)
InChIKeyLQMPQMCXHUCWPD-UHFFFAOYSA-N
XLogP4.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
CID 112526905
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577321
N-[4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214835

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide (CID 84576525) is 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide is Cc1cc(O)ccc1NC(=O)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is LQMPQMCXHUCWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-9-6-12(19)4-5-13(9)18-16(20)15-7-10-2-3-11(17)8-14(10)21-15/h2-8,19H,1H3,(H,18,20).
What are the key properties of 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide?
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).