5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide

C17H14BrNO2 — CID 19225280

IUPAC5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1
InChIInChI=1S/C17H14BrNO2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h3-9H,1-2H3,(H,19,20)
InChIKeyXQCZVSWBAQMUCO-UHFFFAOYSA-N
MW344.21 g/mol
LogP5.06
Rot. Bonds2

About 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 19225280) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID19225280
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1
InChIInChI=1S/C17H14BrNO2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h3-9H,1-2H3,(H,19,20)
InChIKeyXQCZVSWBAQMUCO-UHFFFAOYSA-N
XLogP5.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
CID 78866131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide (CID 19225280) is 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1.
What is the InChIKey of 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is XQCZVSWBAQMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).