5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide

C19H18BrNO2 — CID 19225293

IUPAC5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H18BrNO2/c1-3-12-6-5-7-13(4-2)18(12)21-19(22)17-11-14-10-15(20)8-9-16(14)23-17/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyDFGWZOIXHDLKEA-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.57
Rot. Bonds4

About 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 19225293) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID19225293
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H18BrNO2/c1-3-12-6-5-7-13(4-2)18(12)21-19(22)17-11-14-10-15(20)8-9-16(14)23-17/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyDFGWZOIXHDLKEA-UHFFFAOYSA-N
XLogP5.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
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
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 51370941
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119568785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide (CID 19225293) is 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DFGWZOIXHDLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-3-12-6-5-7-13(4-2)18(12)21-19(22)17-11-14-10-15(20)8-9-16(14)23-17/h5-11H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).