3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide

C11H5Br3FN3O — CID 114074325

IUPAC3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H5Br3FN3O/c12-6-3-5(1-2-7(6)15)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19)
InChIKeyPQPJLGQUNQZWJJ-UHFFFAOYSA-N
MW453.89 g/mol
LogP4.16
Rot. Bonds2

About 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide

3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide (PubChem CID 114074325) has the molecular formula C11H5Br3FN3O and a molecular weight of 453.89 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
PubChem CID114074325
Molecular FormulaC11H5Br3FN3O
Molecular Weight453.89 g/mol
Exact Mass450.80
IUPAC Name3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H5Br3FN3O/c12-6-3-5(1-2-7(6)15)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19)
InChIKeyPQPJLGQUNQZWJJ-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide (CID 114074325) is 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide is O=C(Nc1ncc(Br)nc1Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide?
The InChIKey is PQPJLGQUNQZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3FN3O/c12-6-3-5(1-2-7(6)15)11(19)18-10-9(14)17-8(13)4-16-10/h1-4H,(H,16,18,19).
What are the key properties of 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide?
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide has a molecular weight of 453.89 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 114074325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).