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

C20H13ClN2O — CID 69161098

IUPAC2-(2-chlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-17-12-6-7-13-18(17)23-20(24)16-11-5-4-10-15(16)19(22-23)14-8-2-1-3-9-14/h1-13H
InChIKeyGCUQNJAYVMVLQX-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.71
Rot. Bonds2

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

2-(2-chlorophenyl)-4-phenylphthalazin-1-one (PubChem CID 69161098) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-phenylphthalazin-1-one
PubChem CID69161098
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name2-(2-chlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-17-12-6-7-13-18(17)23-20(24)16-11-5-4-10-15(16)19(22-23)14-8-2-1-3-9-14/h1-13H
InChIKeyGCUQNJAYVMVLQX-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(2-chlorophenyl)-4-phenylphthalazin-1-one (CID 69161098) is 2-(2-chlorophenyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-phenylphthalazin-1-one?
The InChIKey is GCUQNJAYVMVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-17-12-6-7-13-18(17)23-20(24)16-11-5-4-10-15(16)19(22-23)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 2-(2-chlorophenyl)-4-phenylphthalazin-1-one?
2-(2-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-(2-chlorophenyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 69161098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).