2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide

C6H4Cl3N3O — CID 166431692

IUPAC2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide
SMILESO=C(CCl)Nc1ncc(Cl)nc1Cl
InChIInChI=1S/C6H4Cl3N3O/c7-1-4(13)12-6-5(9)11-3(8)2-10-6/h2H,1H2,(H,10,12,13)
InChIKeyORUDWNJHZSTJHR-UHFFFAOYSA-N
MW240.48 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide

2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide (PubChem CID 166431692) has the molecular formula C6H4Cl3N3O and a molecular weight of 240.48 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide
PubChem CID166431692
Molecular FormulaC6H4Cl3N3O
Molecular Weight240.48 g/mol
Exact Mass238.94
IUPAC Name2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide
SMILESO=C(CCl)Nc1ncc(Cl)nc1Cl
InChIInChI=1S/C6H4Cl3N3O/c7-1-4(13)12-6-5(9)11-3(8)2-10-6/h2H,1H2,(H,10,12,13)
InChIKeyORUDWNJHZSTJHR-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide (CID 166431692) is 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide is O=C(CCl)Nc1ncc(Cl)nc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide?
The InChIKey is ORUDWNJHZSTJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N3O/c7-1-4(13)12-6-5(9)11-3(8)2-10-6/h2H,1H2,(H,10,12,13).
What are the key properties of 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide?
2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide has a molecular weight of 240.48 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloropyrazin-2-yl)acetamide is sourced from PubChem (CID 166431692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).