2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one

C19H18F3N3O — CID 47060491

IUPAC2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
SMILESCN(Cc1ccc(F)c(F)c1)CN1N=C(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C19H18F3N3O/c1-24(11-13-2-7-16(21)17(22)10-13)12-25-19(26)9-8-18(23-25)14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyYBJBVUOMYLKZMJ-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.52
Rot. Bonds5

About 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one

2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one (PubChem CID 47060491) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
PubChem CID47060491
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
SMILESCN(Cc1ccc(F)c(F)c1)CN1N=C(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C19H18F3N3O/c1-24(11-13-2-7-16(21)17(22)10-13)12-25-19(26)9-8-18(23-25)14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyYBJBVUOMYLKZMJ-UHFFFAOYSA-N
XLogP3.52
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one (CID 47060491) is 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one is CN(Cc1ccc(F)c(F)c1)CN1N=C(c2ccc(F)cc2)CCC1=O.
What is the InChIKey of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is YBJBVUOMYLKZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-24(11-13-2-7-16(21)17(22)10-13)12-25-19(26)9-8-18(23-25)14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 361.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 47060491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).