5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

C17H19BrN2O3 — CID 110280533

IUPAC5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)ccc2o1)C(=O)N1CCCCC1
InChIInChI=1S/C17H19BrN2O3/c1-11(17(22)20-7-3-2-4-8-20)19-16(21)15-10-12-9-13(18)5-6-14(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyWDJJEZUEDCWZQZ-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 110280533) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID110280533
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)ccc2o1)C(=O)N1CCCCC1
InChIInChI=1S/C17H19BrN2O3/c1-11(17(22)20-7-3-2-4-8-20)19-16(21)15-10-12-9-13(18)5-6-14(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyWDJJEZUEDCWZQZ-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
N-[(2R)-1-[(3S)-3-(2-methylsulfonylacetyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
CID 92603923
2-(2-amino-5-bromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 113408314
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 79964792
5-bromo-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 46429890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (CID 110280533) is 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2cc(Br)ccc2o1)C(=O)N1CCCCC1.
What is the InChIKey of 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WDJJEZUEDCWZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11(17(22)20-7-3-2-4-8-20)19-16(21)15-10-12-9-13(18)5-6-14(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110280533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).