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

C18H15F2N3O — CID 46337606

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCc2ccc(F)cc2)nccn1Cc1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O/c19-15-5-1-13(2-6-15)11-22-17-18(24)23(10-9-21-17)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,21,22)
InChIKeySEIOARZOJIAAOE-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.18
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one (PubChem CID 46337606) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one
PubChem CID46337606
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCc2ccc(F)cc2)nccn1Cc1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O/c19-15-5-1-13(2-6-15)11-22-17-18(24)23(10-9-21-17)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,21,22)
InChIKeySEIOARZOJIAAOE-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one (CID 46337606) is 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one is O=c1c(NCc2ccc(F)cc2)nccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one?
The InChIKey is SEIOARZOJIAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-15-5-1-13(2-6-15)11-22-17-18(24)23(10-9-21-17)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one has a molecular weight of 327.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 46337606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).