2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide

C24H21N3O3 — CID 23854431

IUPAC2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-27-24(29)21-6-4-3-5-20(21)23(26-27)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyPBZUMUKNELWTOX-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.02
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide

2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 23854431) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID23854431
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-27-24(29)21-6-4-3-5-20(21)23(26-27)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyPBZUMUKNELWTOX-UHFFFAOYSA-N
XLogP4.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(propan-2-ylideneamino)acetamide
CID 44724691
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44722763
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 24651279
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide (CID 23854431) is 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide is COc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is PBZUMUKNELWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-11-18(12-8-16)25-22(28)15-27-24(29)21-6-4-3-5-20(21)23(26-27)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 23854431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).