2-bromo-4-chloro-N-pyrazin-2-ylbenzamide

C11H7BrClN3O — CID 104853699

IUPAC2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H7BrClN3O/c12-9-5-7(13)1-2-8(9)11(17)16-10-6-14-3-4-15-10/h1-6H,(H,15,16,17)
InChIKeyREOVVZUTIHXOBS-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide

2-bromo-4-chloro-N-pyrazin-2-ylbenzamide (PubChem CID 104853699) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
PubChem CID104853699
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC Name2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H7BrClN3O/c12-9-5-7(13)1-2-8(9)11(17)16-10-6-14-3-4-15-10/h1-6H,(H,15,16,17)
InChIKeyREOVVZUTIHXOBS-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide (CID 104853699) is 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide?
The InChIKey is REOVVZUTIHXOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-9-5-7(13)1-2-8(9)11(17)16-10-6-14-3-4-15-10/h1-6H,(H,15,16,17).
What are the key properties of 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide?
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide has a molecular weight of 312.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 104853699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).