2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide

C21H17N3O2 — CID 46518026

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
SMILESCc1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
InChIInChI=1S/C21H17N3O2/c1-14-16-9-4-5-11-18(16)21(26)24(23-14)13-20(25)22-19-12-6-8-15-7-2-3-10-17(15)19/h2-12H,13H2,1H3,(H,22,25)
InChIKeyYHXCZJJGRRTGOZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide (PubChem CID 46518026) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
PubChem CID46518026
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
SMILESCc1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
InChIInChI=1S/C21H17N3O2/c1-14-16-9-4-5-11-18(16)21(26)24(23-14)13-20(25)22-19-12-6-8-15-7-2-3-10-17(15)19/h2-12H,13H2,1H3,(H,22,25)
InChIKeyYHXCZJJGRRTGOZ-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 50813032
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide (CID 46518026) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide is Cc1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is YHXCZJJGRRTGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-16-9-4-5-11-18(16)21(26)24(23-14)13-20(25)22-19-12-6-8-15-7-2-3-10-17(15)19/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 343.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 46518026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).