2-(4-chlorophenyl)-4-phenylphthalazin-1-one

C20H13ClN2O — CID 110172596

IUPAC2-(4-chlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-10-12-16(13-11-15)23-20(24)18-9-5-4-8-17(18)19(22-23)14-6-2-1-3-7-14/h1-13H
InChIKeyBPFFPEUMBDLJDK-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.71
Rot. Bonds2

About 2-(4-chlorophenyl)-4-phenylphthalazin-1-one

2-(4-chlorophenyl)-4-phenylphthalazin-1-one (PubChem CID 110172596) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenylphthalazin-1-one
PubChem CID110172596
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name2-(4-chlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-10-12-16(13-11-15)23-20(24)18-9-5-4-8-17(18)19(22-23)14-6-2-1-3-7-14/h1-13H
InChIKeyBPFFPEUMBDLJDK-UHFFFAOYSA-N
XLogP4.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
2-(2-chlorophenyl)-4-phenylphthalazin-1-one
CID 69161098
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
[3-[3-(4-chlorophenyl)-4-oxophthalazin-1-yl]phenyl] cyclopropanecarboxylate
CID 155346393
1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
CID 20852398
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
2-(4-chloro-2-nitrophenyl)-4-phenylphthalazin-1-one
CID 69162344
1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
4-[4-[4-[4-(4-carboxyphenoxy)phenyl]phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 100961465
2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
CID 22079223
2-tert-butyl-4-(4-chlorophenyl)phthalazin-1-one
CID 3974209

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-4-phenylphthalazin-1-one (CID 110172596) is 2-(4-chlorophenyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenylphthalazin-1-one?
The InChIKey is BPFFPEUMBDLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-15-10-12-16(13-11-15)23-20(24)18-9-5-4-8-17(18)19(22-23)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(4-chlorophenyl)-4-phenylphthalazin-1-one?
2-(4-chlorophenyl)-4-phenylphthalazin-1-one has a molecular weight of 332.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 110172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).