3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one

C18H15ClFN3O — CID 46337610

IUPAC3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(NCc2ccccc2Cl)nccn1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O/c19-16-4-2-1-3-14(16)11-22-17-18(24)23(10-9-21-17)12-13-5-7-15(20)8-6-13/h1-10H,11-12H2,(H,21,22)
InChIKeyZLQILBUGIJAPKR-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.70
Rot. Bonds5

About 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one

3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one (PubChem CID 46337610) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one
PubChem CID46337610
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(NCc2ccccc2Cl)nccn1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O/c19-16-4-2-1-3-14(16)11-22-17-18(24)23(10-9-21-17)12-13-5-7-15(20)8-6-13/h1-10H,11-12H2,(H,21,22)
InChIKeyZLQILBUGIJAPKR-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one (CID 46337610) is 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one is O=c1c(NCc2ccccc2Cl)nccn1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one?
The InChIKey is ZLQILBUGIJAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-16-4-2-1-3-14(16)11-22-17-18(24)23(10-9-21-17)12-13-5-7-15(20)8-6-13/h1-10H,11-12H2,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one?
3-[(2-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]pyrazin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.70, 5 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-[(4-fluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 46337610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).