5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one

C18H15BrFN3O — CID 1479622

IUPAC5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one
SMILESCN(Cc1ccccc1)c1cnn(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C18H15BrFN3O/c1-22(12-13-5-3-2-4-6-13)16-11-21-23(18(24)17(16)19)15-9-7-14(20)8-10-15/h2-11H,12H2,1H3
InChIKeyUQVHCILMDKPHPE-UHFFFAOYSA-N
MW388.24 g/mol
LogP3.77
Rot. Bonds4

About 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one

5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 1479622) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID1479622
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC Name5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one
SMILESCN(Cc1ccccc1)c1cnn(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C18H15BrFN3O/c1-22(12-13-5-3-2-4-6-13)16-11-21-23(18(24)17(16)19)15-9-7-14(20)8-10-15/h2-11H,12H2,1H3
InChIKeyUQVHCILMDKPHPE-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one (CID 1479622) is 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one is CN(Cc1ccccc1)c1cnn(-c2ccc(F)cc2)c(=O)c1Br.
What is the InChIKey of 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is UQVHCILMDKPHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-22(12-13-5-3-2-4-6-13)16-11-21-23(18(24)17(16)19)15-9-7-14(20)8-10-15/h2-11H,12H2,1H3.
What are the key properties of 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one?
5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 388.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-4-bromo-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 1479622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).