3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide

C11H6Cl3N3O — CID 104964163

IUPAC3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/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)
InChIKeyNGALBUHTKILQSK-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide

3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide (PubChem CID 104964163) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
PubChem CID104964163
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/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)
InChIKeyNGALBUHTKILQSK-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
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
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 107595794
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide (CID 104964163) is 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide is O=C(Nc1cnc(Cl)cn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide?
The InChIKey is NGALBUHTKILQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/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 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide?
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide has a molecular weight of 302.55 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide is sourced from PubChem (CID 104964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).