2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide

C22H17FN4O3 — CID 118567316

IUPAC2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1ccc2c(c1CC(=O)Nc1ccc(-c3ccc(F)cc3)nn1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-3-8-15-20(22(30)27(2)21(15)29)16(12)11-19(28)24-18-10-9-17(25-26-18)13-4-6-14(23)7-5-13/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyFFEIGKUWNHPOKE-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide

2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide (PubChem CID 118567316) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide
PubChem CID118567316
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1ccc2c(c1CC(=O)Nc1ccc(-c3ccc(F)cc3)nn1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-3-8-15-20(22(30)27(2)21(15)29)16(12)11-19(28)24-18-10-9-17(25-26-18)13-4-6-14(23)7-5-13/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyFFEIGKUWNHPOKE-UHFFFAOYSA-N
XLogP3.00
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide (CID 118567316) is 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide is Cc1ccc2c(c1CC(=O)Nc1ccc(-c3ccc(F)cc3)nn1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide?
The InChIKey is FFEIGKUWNHPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-12-3-8-15-20(22(30)27(2)21(15)29)16(12)11-19(28)24-18-10-9-17(25-26-18)13-4-6-14(23)7-5-13/h3-10H,11H2,1-2H3,(H,24,26,28).
What are the key properties of 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide?
2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118567316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).