3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide

C11H6Cl2FN3O — CID 107595855

IUPAC3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6Cl2FN3O/c12-7-3-6(1-2-8(7)14)11(18)17-10-5-15-9(13)4-16-10/h1-5H,(H,16,17,18)
InChIKeyFGOIMXZVSPEZEQ-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.17
Rot. Bonds2

About 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide

3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide (PubChem CID 107595855) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
PubChem CID107595855
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6Cl2FN3O/c12-7-3-6(1-2-8(7)14)11(18)17-10-5-15-9(13)4-16-10/h1-5H,(H,16,17,18)
InChIKeyFGOIMXZVSPEZEQ-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

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CID 104964229
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3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
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N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 107595794
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
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3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide (CID 107595855) is 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide is O=C(Nc1cnc(Cl)cn1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide?
The InChIKey is FGOIMXZVSPEZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c12-7-3-6(1-2-8(7)14)11(18)17-10-5-15-9(13)4-16-10/h1-5H,(H,16,17,18).
What are the key properties of 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide?
3-chloro-N-(5-chloropyrazin-2-yl)-4-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 3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 107595855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).