2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide

C22H17N3O2 — CID 19580220

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-20(23-17-11-5-2-6-12-17)15-25-22(27)19-14-8-7-13-18(19)21(24-25)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26)
InChIKeyWSCAWDJJMLIFDM-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.70
Rot. Bonds4

About 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide

2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide (PubChem CID 19580220) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide
PubChem CID19580220
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-20(23-17-11-5-2-6-12-17)15-25-22(27)19-14-8-7-13-18(19)21(24-25)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26)
InChIKeyWSCAWDJJMLIFDM-UHFFFAOYSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.70
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-phenylacetamide?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide (CID 19580220) is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide?
The InChIKey is WSCAWDJJMLIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-20(23-17-11-5-2-6-12-17)15-25-22(27)19-14-8-7-13-18(19)21(24-25)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26).
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide?
2-(1-oxo-4-phenylphthalazin-2-yl)-N-phenylacetamide has a molecular weight of 355.40 g/mol, XLogP of 3.70, 4 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-phenylacetamide is sourced from PubChem (CID 19580220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).