5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide

C15H13BrN2O2 — CID 43822479

IUPAC5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H13BrN2O2/c1-9-3-4-10(2)18(9)17-15(19)14-8-11-7-12(16)5-6-13(11)20-14/h3-8H,1-2H3,(H,17,19)
InChIKeyJEELXDKTOIPYNM-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide

5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide (PubChem CID 43822479) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
PubChem CID43822479
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H13BrN2O2/c1-9-3-4-10(2)18(9)17-15(19)14-8-11-7-12(16)5-6-13(11)20-14/h3-8H,1-2H3,(H,17,19)
InChIKeyJEELXDKTOIPYNM-UHFFFAOYSA-N
XLogP4.00
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932
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-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide (CID 43822479) is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide is Cc1ccc(C)n1NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JEELXDKTOIPYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-9-3-4-10(2)18(9)17-15(19)14-8-11-7-12(16)5-6-13(11)20-14/h3-8H,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43822479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).