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

C18H15ClFN3O — CID 20941670

IUPAC3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-2-7-15(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-3-5-14(19)6-4-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyUDUVDOBWXUNKOC-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.95
Rot. Bonds4

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

3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one (PubChem CID 20941670) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
PubChem CID20941670
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)cc1F
InChIInChI=1S/C18H15ClFN3O/c1-12-2-7-15(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-3-5-14(19)6-4-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyUDUVDOBWXUNKOC-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one (CID 20941670) is 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one is Cc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)cc1F.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
The InChIKey is UDUVDOBWXUNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-2-7-15(10-16(12)20)23-9-8-21-17(18(23)24)22-11-13-3-5-14(19)6-4-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one?
3-[(4-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-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 20941670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).