3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one

C17H12Cl2N2O — CID 45268991

IUPAC3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
SMILESCc1ccccc1-c1c(Cl)nc(Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H12Cl2N2O/c1-11-7-5-6-10-13(11)14-15(18)20-16(19)17(22)21(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyLSIZDBJYVLTOQR-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.51
Rot. Bonds2

About 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one

3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one (PubChem CID 45268991) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
PubChem CID45268991
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
SMILESCc1ccccc1-c1c(Cl)nc(Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H12Cl2N2O/c1-11-7-5-6-10-13(11)14-15(18)20-16(19)17(22)21(14)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyLSIZDBJYVLTOQR-UHFFFAOYSA-N
XLogP4.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-Trichloro-1-(4-methylphenyl)pyrazin-2-one
CID 849396
2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide
CID 71455902
N-Benzyl-2,2,2-trichloroacetanilide
CID 306495
2(1H)-Pyrazinone, 3,5-dichloro-6-methyl-1-phenyl-
CID 10879675
5-Chloro-6-(chloromethyl)-1,3-diphenylpyrazin-2-one
CID 45273275
2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide
CID 14326542
5-Chloro-6-methyl-1,3-diphenylpyrazin-2-one
CID 10494194
3-Chloro-1-methyl-4-phenylquinolin-2-one
CID 10978508
Diacetyldichlorbenzidin
CID 129703192
2-Chloro-N-phenyl-N-(1-phenylethenyl)acetamide
CID 13825383
2-chloro-N-(2-methylphenyl)-N-(1-phenylethenyl)acetamide
CID 13825384
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-phenylacetamide
CID 13825398

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one (CID 45268991) is 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one is Cc1ccccc1-c1c(Cl)nc(Cl)c(=O)n1-c1ccccc1.
What is the InChIKey of 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one?
The InChIKey is LSIZDBJYVLTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c1-11-7-5-6-10-13(11)14-15(18)20-16(19)17(22)21(14)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one?
3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one has a molecular weight of 331.20 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one is sourced from PubChem (CID 45268991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).