N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide

C11H5Br2F2N3O — CID 113255841

IUPACN-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc(F)ccc1F
InChIInChI=1S/C11H5Br2F2N3O/c12-8-4-16-10(9(13)17-8)18-11(19)6-3-5(14)1-2-7(6)15/h1-4H,(H,16,18,19)
InChIKeyFEDGRHZXUXPMMC-UHFFFAOYSA-N
MW392.99 g/mol
LogP3.53
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide

N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide (PubChem CID 113255841) has the molecular formula C11H5Br2F2N3O and a molecular weight of 392.99 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
PubChem CID113255841
Molecular FormulaC11H5Br2F2N3O
Molecular Weight392.99 g/mol
Exact Mass390.88
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cc(F)ccc1F
InChIInChI=1S/C11H5Br2F2N3O/c12-8-4-16-10(9(13)17-8)18-11(19)6-3-5(14)1-2-7(6)15/h1-4H,(H,16,18,19)
InChIKeyFEDGRHZXUXPMMC-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.99
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-(3-amino-5-bromopyrazin-2-yl)-5-fluoropyridine-2-carboxamide
CID 166104185
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
2,5-difluoro-N-(3-methoxy-6-methyl-2-pyridinyl)benzamide
CID 71982977

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide (CID 113255841) is N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide is O=C(Nc1ncc(Br)nc1Br)c1cc(F)ccc1F.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide?
The InChIKey is FEDGRHZXUXPMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2F2N3O/c12-8-4-16-10(9(13)17-8)18-11(19)6-3-5(14)1-2-7(6)15/h1-4H,(H,16,18,19).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide?
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide has a molecular weight of 392.99 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 113255841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).