4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one

C18H16F2N2O — CID 78881007

IUPAC4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
SMILESCC(C)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H16F2N2O/c1-11(2)10-22-18(23)14-6-4-3-5-13(14)17(21-22)12-7-8-15(19)16(20)9-12/h3-9,11H,10H2,1-2H3
InChIKeyIKLCUHLYRHBQGA-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.00
Rot. Bonds3

About 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one

4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one (PubChem CID 78881007) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
PubChem CID78881007
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
SMILESCC(C)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H16F2N2O/c1-11(2)10-22-18(23)14-6-4-3-5-13(14)17(21-22)12-7-8-15(19)16(20)9-12/h3-9,11H,10H2,1-2H3
InChIKeyIKLCUHLYRHBQGA-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenyl)-2-[(2R)-2-hydroxy-2-phenylethyl]phthalazin-1-one
CID 94600109
2-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one
CID 44724663
4-[4-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]phenoxy]butyl-triphenylphosphanium
CID 127045979
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-4-(3,4-difluorophenyl)phthalazin-1-one
CID 55735393
4-(3,4-difluorophenyl)-2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]phthalazin-1-one
CID 60526462
3-(2-methylpropyl)-4-oxo-N'-(2,3,5,6-tetrafluorophenyl)phthalazine-1-carbohydrazide
CID 2094928
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
CID 33099057
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 141064912
4-[[bis(2-hydroxyethyl)amino]methyl]-6-(3,4-difluorophenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 10177855
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55400211

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one (CID 78881007) is 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one is CC(C)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one?
The InChIKey is IKLCUHLYRHBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11(2)10-22-18(23)14-6-4-3-5-13(14)17(21-22)12-7-8-15(19)16(20)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one?
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one has a molecular weight of 314.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one is sourced from PubChem (CID 78881007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).