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

C22H17FN4O3 — CID 118560840

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-8-14(20-16(9-12)21(29)27(2)22(20)30)11-19(28)24-18-7-6-17(25-26-18)13-4-3-5-15(23)10-13/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyVHGAGVIZKKXDSM-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.00
Rot. Bonds4

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

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide (PubChem CID 118560840) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide
PubChem CID118560840
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C22H17FN4O3/c1-12-8-14(20-16(9-12)21(29)27(2)22(20)30)11-19(28)24-18-7-6-17(25-26-18)13-4-3-5-15(23)10-13/h3-10H,11H2,1-2H3,(H,24,26,28)
InChIKeyVHGAGVIZKKXDSM-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-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-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-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide (CID 118560840) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide?
The InChIKey is VHGAGVIZKKXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-12-8-14(20-16(9-12)21(29)27(2)22(20)30)11-19(28)24-18-7-6-17(25-26-18)13-4-3-5-15(23)10-13/h3-10H,11H2,1-2H3,(H,24,26,28).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-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-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(3-fluorophenyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).