2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one

C15H10BrFN2O — CID 3353468

IUPAC2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(F)cc2Br)c(=O)c2ccccc12
InChIInChI=1S/C15H10BrFN2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(17)8-13(14)16/h2-8H,1H3
InChIKeyUUKSSWNAZOSSQA-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.60
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one

2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one (PubChem CID 3353468) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one
PubChem CID3353468
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(F)cc2Br)c(=O)c2ccccc12
InChIInChI=1S/C15H10BrFN2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(17)8-13(14)16/h2-8H,1H3
InChIKeyUUKSSWNAZOSSQA-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one (CID 3353468) is 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one is Cc1nn(-c2ccc(F)cc2Br)c(=O)c2ccccc12.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one?
The InChIKey is UUKSSWNAZOSSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(17)8-13(14)16/h2-8H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one?
2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one has a molecular weight of 333.16 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-4-methylphthalazin-1-one is sourced from PubChem (CID 3353468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).