2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide

C23H22ClFN4O2 — CID 70309221

IUPAC2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)NC23CCCCC3)ccc1F
InChIInChI=1S/C23H22ClFN4O2/c24-17-6-4-15(5-7-17)21-22(31)29(23(28-21)10-2-1-3-11-23)14-20(30)27-18-8-9-19(25)16(12-18)13-26/h4-9,12,21,28H,1-3,10-11,14H2,(H,27,30)
InChIKeyXDLFQITWLRUNOZ-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide

2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide (PubChem CID 70309221) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
PubChem CID70309221
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)NC23CCCCC3)ccc1F
InChIInChI=1S/C23H22ClFN4O2/c24-17-6-4-15(5-7-17)21-22(31)29(23(28-21)10-2-1-3-11-23)14-20(30)27-18-8-9-19(25)16(12-18)13-26/h4-9,12,21,28H,1-3,10-11,14H2,(H,27,30)
InChIKeyXDLFQITWLRUNOZ-UHFFFAOYSA-N
XLogP4.12
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)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-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide (CID 70309221) is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide is N#Cc1cc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)NC23CCCCC3)ccc1F.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
The InChIKey is XDLFQITWLRUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c24-17-6-4-15(5-7-17)21-22(31)29(23(28-21)10-2-1-3-11-23)14-20(30)27-18-8-9-19(25)16(12-18)13-26/h4-9,12,21,28H,1-3,10-11,14H2,(H,27,30).
What are the key properties of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide has a molecular weight of 440.91 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]decan-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 70309221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).