2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide

C24H21N3O2 — CID 2937233

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17(18-10-4-2-5-11-18)25-22(28)16-27-24(29)21-15-9-8-14-20(21)23(26-27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyWHMBOJNJDINXGR-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.94
Rot. Bonds5

About 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide

2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 2937233) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID2937233
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17(18-10-4-2-5-11-18)25-22(28)16-27-24(29)21-15-9-8-14-20(21)23(26-27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyWHMBOJNJDINXGR-UHFFFAOYSA-N
XLogP3.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide (CID 2937233) is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is WHMBOJNJDINXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(18-10-4-2-5-11-18)25-22(28)16-27-24(29)21-15-9-8-14-20(21)23(26-27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28).
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide?
2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2937233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).