5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide

C11H5Br3IN3O — CID 114074313

IUPAC5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc(Br)ccc1I
InChIInChI=1S/C11H5Br3IN3O/c12-5-1-2-7(15)6(3-5)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19)
InChIKeyIMLKIZCWOIIOGY-UHFFFAOYSA-N
MW561.80 g/mol
LogP4.62
Rot. Bonds2

About 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide

5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide (PubChem CID 114074313) has the molecular formula C11H5Br3IN3O and a molecular weight of 561.80 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
PubChem CID114074313
Molecular FormulaC11H5Br3IN3O
Molecular Weight561.80 g/mol
Exact Mass558.70
IUPAC Name5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc(Br)ccc1I
InChIInChI=1S/C11H5Br3IN3O/c12-5-1-2-7(15)6(3-5)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19)
InChIKeyIMLKIZCWOIIOGY-UHFFFAOYSA-N
XLogP4.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
CID 114033128
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
CID 103756307
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide
CID 1281652
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide (CID 114074313) is 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide is O=C(Nc1ncc(Br)nc1Br)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide?
The InChIKey is IMLKIZCWOIIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3IN3O/c12-5-1-2-7(15)6(3-5)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19).
What are the key properties of 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide?
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide has a molecular weight of 561.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide is sourced from PubChem (CID 114074313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).