4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione

C26H20ClN3O3 — CID 139068687

IUPAC—
SMILESCN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H20ClN3O3/c1-30-14-19(22(31)15-10-12-16(27)13-11-15)25(17-6-2-4-8-20(17)28-23(25)32)26(30)18-7-3-5-9-21(18)29-24(26)33/h2-13,19H,14H2,1H3,(H,28,32)(H,29,33)/t19-,25+,26-/m1/s1
InChIKeyLAIIOHMWYSTYPC-JSRBVGTNSA-N
MW457.92 g/mol
LogP3.82
Rot. Bonds2

About 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione

4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione (PubChem CID 139068687) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol.

Molecular Properties

Compound Name4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione
PubChem CID139068687
Molecular FormulaC26H20ClN3O3
Molecular Weight457.92 g/mol
Exact Mass457.12
IUPAC Name—
SMILESCN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H20ClN3O3/c1-30-14-19(22(31)15-10-12-16(27)13-11-15)25(17-6-2-4-8-20(17)28-23(25)32)26(30)18-7-3-5-9-21(18)29-24(26)33/h2-13,19H,14H2,1H3,(H,28,32)(H,29,33)/t19-,25+,26-/m1/s1
InChIKeyLAIIOHMWYSTYPC-JSRBVGTNSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione with MolForge

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Related Compounds

CID 102309828
CID 102309828
CID 4910196
CID 4910196
ethyl (3R,3'R,4'R)-4'-(4-chlorophenyl)-3'-cyano-1'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
CID 102494092
(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
CID 101474683
CID 132605390
CID 132605390
CID 23636208
CID 23636208
6'-(4-chlorobenzoyl)spiro[1H-indole-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 5311574
CID 100849294
CID 100849294
4'-(4-Chlorophenyl)-1'-methyl-4'',5'',6'',7''-tetrahydro-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-a]pyrimidine)-2(3H),3''(2''H)-dione
CID 139066111
CID 102380023
CID 102380023
CID 155809193
CID 155809193
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371

Frequently Asked Questions

What is the IUPAC name of 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione?
The IUPAC name of 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione (CID 139068687) is not available.
What is the SMILES notation for 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione?
The canonical SMILES for 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione is CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione?
The InChIKey is LAIIOHMWYSTYPC-JSRBVGTNSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c1-30-14-19(22(31)15-10-12-16(27)13-11-15)25(17-6-2-4-8-20(17)28-23(25)32)26(30)18-7-3-5-9-21(18)29-24(26)33/h2-13,19H,14H2,1H3,(H,28,32)(H,29,33)/t19-,25+,26-/m1/s1.
What are the key properties of 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione?
4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione has a molecular weight of 457.92 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione is sourced from PubChem (CID 139068687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).