3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide

C11H6BrCl2N3O — CID 107944218

IUPAC3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H6BrCl2N3O/c12-7-1-6(2-8(13)3-7)11(18)17-10-5-15-9(14)4-16-10/h1-5H,(H,16,17,18)
InChIKeyFLPUDQAWGYXFSU-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide

3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide (PubChem CID 107944218) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
PubChem CID107944218
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC Name3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H6BrCl2N3O/c12-7-1-6(2-8(13)3-7)11(18)17-10-5-15-9(14)4-16-10/h1-5H,(H,16,17,18)
InChIKeyFLPUDQAWGYXFSU-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.00
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 107595779
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide (CID 107944218) is 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide is O=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide?
The InChIKey is FLPUDQAWGYXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-7-1-6(2-8(13)3-7)11(18)17-10-5-15-9(14)4-16-10/h1-5H,(H,16,17,18).
What are the key properties of 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide?
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide has a molecular weight of 347.00 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide is sourced from PubChem (CID 107944218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).