2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide

C11H6Cl2FN3O — CID 113456731

IUPAC2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
SMILESO=C(Nc1cncc(Cl)n1)c1c(F)cccc1Cl
InChIInChI=1S/C11H6Cl2FN3O/c12-6-2-1-3-7(14)10(6)11(18)17-9-5-15-4-8(13)16-9/h1-5H,(H,16,17,18)
InChIKeyAWRSAKCLWAHNLA-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide

2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide (PubChem CID 113456731) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
PubChem CID113456731
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
SMILESO=C(Nc1cncc(Cl)n1)c1c(F)cccc1Cl
InChIInChI=1S/C11H6Cl2FN3O/c12-6-2-1-3-7(14)10(6)11(18)17-9-5-15-4-8(13)16-9/h1-5H,(H,16,17,18)
InChIKeyAWRSAKCLWAHNLA-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-(6-chloropyrazin-2-yl)benzamide
CID 113229005
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
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2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
CID 104819957
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide (CID 113456731) is 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide is O=C(Nc1cncc(Cl)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide?
The InChIKey is AWRSAKCLWAHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c12-6-2-1-3-7(14)10(6)11(18)17-9-5-15-4-8(13)16-9/h1-5H,(H,16,17,18).
What are the key properties of 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide?
2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide has a molecular weight of 286.09 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 113456731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).