4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione

C26H21FN2O3 — CID 3715233

IUPAC—
SMILESCN1CC(c2ccccc2F)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H21FN2O3/c1-29-14-19(16-8-2-5-11-20(16)27)25(15-32-22-13-7-3-9-17(22)23(25)30)26(29)18-10-4-6-12-21(18)28-24(26)31/h2-13,19H,14-15H2,1H3,(H,28,31)
InChIKeyMIMUXDSTTFGLPT-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.96
Rot. Bonds1

About 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione

4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione (PubChem CID 3715233) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol.

Molecular Properties

Compound Name4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione
PubChem CID3715233
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC Name—
SMILESCN1CC(c2ccccc2F)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H21FN2O3/c1-29-14-19(16-8-2-5-11-20(16)27)25(15-32-22-13-7-3-9-17(22)23(25)30)26(29)18-10-4-6-12-21(18)28-24(26)31/h2-13,19H,14-15H2,1H3,(H,28,31)
InChIKeyMIMUXDSTTFGLPT-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione?
The IUPAC name of 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione (CID 3715233) is not available.
What is the SMILES notation for 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione?
The canonical SMILES for 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione is CN1CC(c2ccccc2F)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12.
What is the InChIKey of 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione?
The InChIKey is MIMUXDSTTFGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c1-29-14-19(16-8-2-5-11-20(16)27)25(15-32-22-13-7-3-9-17(22)23(25)30)26(29)18-10-4-6-12-21(18)28-24(26)31/h2-13,19H,14-15H2,1H3,(H,28,31).
What are the key properties of 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione?
4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione has a molecular weight of 428.46 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2-Fluorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione is sourced from PubChem (CID 3715233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).