2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide

C22H22FN3O3 — CID 23603242

IUPAC2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCC3)cc1
InChIInChI=1S/C22H22FN3O3/c1-29-18-10-8-17(9-11-18)24-19(27)14-26-21(28)20(15-4-6-16(23)7-5-15)25-22(26)12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyWQGLVOIEIXAYJU-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.37
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide

2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 23603242) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID23603242
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCC3)cc1
InChIInChI=1S/C22H22FN3O3/c1-29-18-10-8-17(9-11-18)24-19(27)14-26-21(28)20(15-4-6-16(23)7-5-15)25-22(26)12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyWQGLVOIEIXAYJU-UHFFFAOYSA-N
XLogP3.37
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)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-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide (CID 23603242) is 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCC3)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is WQGLVOIEIXAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-29-18-10-8-17(9-11-18)24-19(27)14-26-21(28)20(15-4-6-16(23)7-5-15)25-22(26)12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 395.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23603242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).