2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide

C12H10ClN3O — CID 127120451

IUPAC2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cnccn1
InChIInChI=1S/C12H10ClN3O/c13-10-3-1-2-9(6-10)7-12(17)16-11-8-14-4-5-15-11/h1-6,8H,7H2,(H,15,16,17)
InChIKeyDZGGQOBILZZEJW-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide

2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide (PubChem CID 127120451) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
PubChem CID127120451
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cnccn1
InChIInChI=1S/C12H10ClN3O/c13-10-3-1-2-9(6-10)7-12(17)16-11-8-14-4-5-15-11/h1-6,8H,7H2,(H,15,16,17)
InChIKeyDZGGQOBILZZEJW-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271
N-pyrazin-2-yl-2-thiophen-3-ylacetamide
CID 137320950
2-(3-chlorophenyl)-2-(dimethylamino)-N-pyrazin-2-ylacetamide
CID 167941660
N-(5-chloropyrazin-2-yl)-2-pyridin-3-ylacetamide
CID 107595873
N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
CID 172570951
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide (CID 127120451) is 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide is O=C(Cc1cccc(Cl)c1)Nc1cnccn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide?
The InChIKey is DZGGQOBILZZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-3-1-2-9(6-10)7-12(17)16-11-8-14-4-5-15-11/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide?
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide has a molecular weight of 247.69 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 127120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).