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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).