N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide

C13H7Br2N3O2 — CID 103756329

IUPACN-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc2ccccc2o1
InChIInChI=1S/C13H7Br2N3O2/c14-10-6-16-12(11(15)17-10)18-13(19)9-5-7-3-1-2-4-8(7)20-9/h1-6H,(H,16,18,19)
InChIKeyDYTHRGCBVWJYJG-UHFFFAOYSA-N
MW397.03 g/mol
LogP4.00
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide

N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 103756329) has the molecular formula C13H7Br2N3O2 and a molecular weight of 397.03 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
PubChem CID103756329
Molecular FormulaC13H7Br2N3O2
Molecular Weight397.03 g/mol
Exact Mass394.89
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc2ccccc2o1
InChIInChI=1S/C13H7Br2N3O2/c14-10-6-16-12(11(15)17-10)18-13(19)9-5-7-3-1-2-4-8(7)20-9/h1-6H,(H,16,18,19)
InChIKeyDYTHRGCBVWJYJG-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.03
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
CID 43549971
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 17274047
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide (CID 103756329) is N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide is O=C(Nc1ncc(Br)nc1Br)c1cc2ccccc2o1.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DYTHRGCBVWJYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2N3O2/c14-10-6-16-12(11(15)17-10)18-13(19)9-5-7-3-1-2-4-8(7)20-9/h1-6H,(H,16,18,19).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide?
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 397.03 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103756329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).