3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one

C18H15ClFN3O — CID 18591894

IUPAC3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-4-2-3-5-15(13)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOPPFTJQCVAIRDD-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.95
Rot. Bonds4

About 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one

3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one (PubChem CID 18591894) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
PubChem CID18591894
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-4-2-3-5-15(13)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOPPFTJQCVAIRDD-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorobenzyl)-4-phenylpyrazine-2,3(1H,4H)-dione
CID 16017713
3-{[2-(4-Chlorophenyl)ethyl]amino}-1-phenyl-1,2-dihydropyrazin-2-one
CID 16025725
1-(3,5-Dimethylphenyl)-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025759
5-Chloro-3-[2,6-dichloro-4-(trifluoromethyl)phenylamino]-1-(1-propylbutyl)pyrazin-2(1H)-one
CID 44191009
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 52944309
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 1434973
N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2462331
Slupp-225
CID 137636055
1-[(2-Chloro-4-fluorophenyl)methyl]-4-phenylpiperazine-2,3-dione
CID 49839730
2-(4-(3-chloro-4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 7286837
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea
CID 1450128
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 1450129

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one (CID 18591894) is 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one is Cc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1F.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The InChIKey is OPPFTJQCVAIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-4-2-3-5-15(13)19/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 18591894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).