2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide

C23H19N3O2 — CID 39890696

IUPAC2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O2/c27-22(24-18-11-5-2-6-12-18)16-26-23(28)20-14-8-7-13-19(20)21(25-26)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,24,27)
InChIKeyPTJPLEIJTUITFT-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide

2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide (PubChem CID 39890696) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide
PubChem CID39890696
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O2/c27-22(24-18-11-5-2-6-12-18)16-26-23(28)20-14-8-7-13-19(20)21(25-26)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,24,27)
InChIKeyPTJPLEIJTUITFT-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide (CID 39890696) is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide is O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccccc1.
What is the InChIKey of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide?
The InChIKey is PTJPLEIJTUITFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(24-18-11-5-2-6-12-18)16-26-23(28)20-14-8-7-13-19(20)21(25-26)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,24,27).
What are the key properties of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide?
2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide has a molecular weight of 369.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 39890696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).