1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H16F3NO2 — CID 122187189

IUPAC1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H16F3NO2/c1-27-21(29)19(15-7-9-17(10-8-15)23(24,25)26)20(16-5-3-2-4-6-16)22(27)13-11-18(28)12-14-22/h2-14H,1H3
InChIKeyWJKGPPVMYJAKOH-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.52
Rot. Bonds2

About 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187189) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187189
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H16F3NO2/c1-27-21(29)19(15-7-9-17(10-8-15)23(24,25)26)20(16-5-3-2-4-6-16)22(27)13-11-18(28)12-14-22/h2-14H,1H3
InChIKeyWJKGPPVMYJAKOH-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione 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 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187189) is 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2.
What is the InChIKey of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is WJKGPPVMYJAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c1-27-21(29)19(15-7-9-17(10-8-15)23(24,25)26)20(16-5-3-2-4-6-16)22(27)13-11-18(28)12-14-22/h2-14H,1H3.
What are the key properties of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 395.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).