N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide

C17H13BrN2O3 — CID 39705718

IUPACN-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C17H13BrN2O3/c1-10(21)19-12-5-7-13(8-6-12)20-17(22)15-9-11-3-2-4-14(18)16(11)23-15/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyZPUGHAPTDHDEDF-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.41
Rot. Bonds3

About N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide

N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 39705718) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
PubChem CID39705718
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC NameN-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C17H13BrN2O3/c1-10(21)19-12-5-7-13(8-6-12)20-17(22)15-9-11-3-2-4-14(18)16(11)23-15/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyZPUGHAPTDHDEDF-UHFFFAOYSA-N
XLogP4.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
CID 42960778
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 46468257
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide (CID 39705718) is N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is ZPUGHAPTDHDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-10(21)19-12-5-7-13(8-6-12)20-17(22)15-9-11-3-2-4-14(18)16(11)23-15/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide?
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39705718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).