2-bromo-N-pyrazin-2-ylbenzamide

C11H8BrN3O — CID 43409356

IUPAC2-bromo-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O/c12-9-4-2-1-3-8(9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16)
InChIKeyREAWZFUVOQMDBU-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.49
Rot. Bonds2

About 2-bromo-N-pyrazin-2-ylbenzamide

2-bromo-N-pyrazin-2-ylbenzamide (PubChem CID 43409356) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-bromo-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-pyrazin-2-ylbenzamide
PubChem CID43409356
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name2-bromo-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O/c12-9-4-2-1-3-8(9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16)
InChIKeyREAWZFUVOQMDBU-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
CID 131960359
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-bromo-N-pyrazin-2-ylbenzamide (CID 43409356) is 2-bromo-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-pyrazin-2-ylbenzamide?
The InChIKey is REAWZFUVOQMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-9-4-2-1-3-8(9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16).
What are the key properties of 2-bromo-N-pyrazin-2-ylbenzamide?
2-bromo-N-pyrazin-2-ylbenzamide has a molecular weight of 278.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 43409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).