1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one

C17H12Cl2N2O — CID 849390

IUPAC1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C17H12Cl2N2O/c18-15-14(13-9-5-2-6-10-13)21(17(22)16(19)20-15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyBITMPVLDUYOJFU-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.27
Rot. Bonds3

About 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one

1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one (PubChem CID 849390) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one
PubChem CID849390
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C17H12Cl2N2O/c18-15-14(13-9-5-2-6-10-13)21(17(22)16(19)20-15)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyBITMPVLDUYOJFU-UHFFFAOYSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dibenzyl-2-chloroacetamide
CID 220099
5,6-Diphenylpyrazin-2-ol
CID 619180
1-benzyl-3,5-dichloropyrazin-2(1H)-one
CID 11299805
1-(4-Benzylpiperazin-1-yl)-2,2,2-trichloroethanone
CID 874461
1,6-Dibenzyl-3,5-dichloropyrazin-2-one
CID 11791778
3,5-dichloro-1-phenethylpyrazin-2(1H)-one
CID 15733301
1-benzyl-3,5-dichloro-6-methylpyrazin-2(1H)-one
CID 15424151
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide
CID 15136822
2-chloro-N-(diphenylmethyl)-N-methylacetamide
CID 2453623
3,5-Dichloro-1-(2-methoxy-ethyl)-6-phenyl-1H-pyrazin-2-one
CID 45271497
N-benzyl-2,2,2-trichloro-N-ethylacetamide
CID 879826
3-Chloro-5,6-diphenylpyrazin-2(1h)-one
CID 279248

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one?
The IUPAC name of 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one (CID 849390) is 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one.
What is the SMILES notation for 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one?
The canonical SMILES for 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one is O=c1c(Cl)nc(Cl)c(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one?
The InChIKey is BITMPVLDUYOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-15-14(13-9-5-2-6-10-13)21(17(22)16(19)20-15)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one?
1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one has a molecular weight of 331.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dichloro-6-phenylpyrazin-2-one is sourced from PubChem (CID 849390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).