2-acetyl-3-phenylphthalazine-1,4-dione

C16H12N2O3 — CID 22432777

IUPAC2-acetyl-3-phenylphthalazine-1,4-dione
SMILESCC(=O)n1c(=O)c2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-11(19)17-15(20)13-9-5-6-10-14(13)16(21)18(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAGFFUZTYTSJYEZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.81
Rot. Bonds1

About 2-acetyl-3-phenylphthalazine-1,4-dione

2-acetyl-3-phenylphthalazine-1,4-dione (PubChem CID 22432777) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-acetyl-3-phenylphthalazine-1,4-dione.

Molecular Properties

Compound Name2-acetyl-3-phenylphthalazine-1,4-dione
PubChem CID22432777
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-acetyl-3-phenylphthalazine-1,4-dione
SMILESCC(=O)n1c(=O)c2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-11(19)17-15(20)13-9-5-6-10-14(13)16(21)18(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyAGFFUZTYTSJYEZ-UHFFFAOYSA-N
XLogP1.81
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-phenylphthalazine-1,4-dione?
The IUPAC name of 2-acetyl-3-phenylphthalazine-1,4-dione (CID 22432777) is 2-acetyl-3-phenylphthalazine-1,4-dione.
What is the SMILES notation for 2-acetyl-3-phenylphthalazine-1,4-dione?
The canonical SMILES for 2-acetyl-3-phenylphthalazine-1,4-dione is CC(=O)n1c(=O)c2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-acetyl-3-phenylphthalazine-1,4-dione?
The InChIKey is AGFFUZTYTSJYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11(19)17-15(20)13-9-5-6-10-14(13)16(21)18(17)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 2-acetyl-3-phenylphthalazine-1,4-dione?
2-acetyl-3-phenylphthalazine-1,4-dione has a molecular weight of 280.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-phenylphthalazine-1,4-dione is sourced from PubChem (CID 22432777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).