5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide

C13H14BrNO2 — CID 19225413

IUPAC5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H14BrNO2/c1-3-8(2)15-13(16)12-7-9-6-10(14)4-5-11(9)17-12/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUOJQXIXSMBCJRT-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.72
Rot. Bonds3

About 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide

5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 19225413) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
PubChem CID19225413
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H14BrNO2/c1-3-8(2)15-13(16)12-7-9-6-10(14)4-5-11(9)17-12/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUOJQXIXSMBCJRT-UHFFFAOYSA-N
XLogP3.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55798246
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
CID 110280533
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide (CID 19225413) is 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide is CCC(C)NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is UOJQXIXSMBCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-3-8(2)15-13(16)12-7-9-6-10(14)4-5-11(9)17-12/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide?
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).