2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one

C20H12Cl2N2O — CID 2806485

IUPAC2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H12Cl2N2O/c21-14-10-15(22)12-16(11-14)24-20(25)18-9-5-4-8-17(18)19(23-24)13-6-2-1-3-7-13/h1-12H
InChIKeyUGBRZTFAAYLZEQ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.36
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one

2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one (PubChem CID 2806485) has the molecular formula C20H12Cl2N2O and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one
PubChem CID2806485
Molecular FormulaC20H12Cl2N2O
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H12Cl2N2O/c21-14-10-15(22)12-16(11-14)24-20(25)18-9-5-4-8-17(18)19(23-24)13-6-2-1-3-7-13/h1-12H
InChIKeyUGBRZTFAAYLZEQ-UHFFFAOYSA-N
XLogP5.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one (CID 2806485) is 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one?
The InChIKey is UGBRZTFAAYLZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O/c21-14-10-15(22)12-16(11-14)24-20(25)18-9-5-4-8-17(18)19(23-24)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one?
2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one has a molecular weight of 367.24 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 2806485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).