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

C23H16FNO3 — CID 138963293

IUPAC3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(C(=O)c2ccccc2F)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H16FNO3/c1-25-22(28)19(21(27)17-9-5-6-10-18(17)24)20(15-7-3-2-4-8-15)23(25)13-11-16(26)12-14-23/h2-14H,1H3
InChIKeyVHLQBNYAZUWHPS-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.37
Rot. Bonds3

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

3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 138963293) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID138963293
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(C(=O)c2ccccc2F)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H16FNO3/c1-25-22(28)19(21(27)17-9-5-6-10-18(17)24)20(15-7-3-2-4-8-15)23(25)13-11-16(26)12-14-23/h2-14H,1H3
InChIKeyVHLQBNYAZUWHPS-UHFFFAOYSA-N
XLogP3.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 138963293) is 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CN1C(=O)C(C(=O)c2ccccc2F)=C(c2ccccc2)C12C=CC(=O)C=C2.
What is the InChIKey of 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is VHLQBNYAZUWHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c1-25-22(28)19(21(27)17-9-5-6-10-18(17)24)20(15-7-3-2-4-8-15)23(25)13-11-16(26)12-14-23/h2-14H,1H3.
What are the key properties of 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 373.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobenzoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 138963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).