N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide

C18H15N3O3 — CID 52937819

IUPACN-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H15N3O3/c1-12(22)20(13(2)23)17-15-10-6-7-11-16(15)18(24)21(19-17)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyMAQTVPBJFTZXFS-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.29
Rot. Bonds2

About N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide

N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide (PubChem CID 52937819) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
PubChem CID52937819
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H15N3O3/c1-12(22)20(13(2)23)17-15-10-6-7-11-16(15)18(24)21(19-17)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyMAQTVPBJFTZXFS-UHFFFAOYSA-N
XLogP2.29
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide?
The IUPAC name of N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide (CID 52937819) is N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide?
The canonical SMILES for N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide is CC(=O)N(C(C)=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide?
The InChIKey is MAQTVPBJFTZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(22)20(13(2)23)17-15-10-6-7-11-16(15)18(24)21(19-17)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide?
N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide is sourced from PubChem (CID 52937819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).