1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione

C30H23FN2O2 — CID 102291883

IUPAC1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione
SMILESO=C1CC(c2ccccc2)C2(C(=O)N(Cc3ccccc3)c3ccc(F)cc32)N1c1ccccc1
InChIInChI=1S/C30H23FN2O2/c31-23-16-17-27-26(18-23)30(29(35)32(27)20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)19-28(34)33(30)24-14-8-3-9-15-24/h1-18,25H,19-20H2
InChIKeyGALPNKUQIILCLE-UHFFFAOYSA-N
MW462.52 g/mol
LogP5.79
Rot. Bonds4

About 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione

1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione (PubChem CID 102291883) has the molecular formula C30H23FN2O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione.

Molecular Properties

Compound Name1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione
PubChem CID102291883
Molecular FormulaC30H23FN2O2
Molecular Weight462.52 g/mol
Exact Mass462.17
IUPAC Name1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione
SMILESO=C1CC(c2ccccc2)C2(C(=O)N(Cc3ccccc3)c3ccc(F)cc32)N1c1ccccc1
InChIInChI=1S/C30H23FN2O2/c31-23-16-17-27-26(18-23)30(29(35)32(27)20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)19-28(34)33(30)24-14-8-3-9-15-24/h1-18,25H,19-20H2
InChIKeyGALPNKUQIILCLE-UHFFFAOYSA-N
XLogP5.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572
1-benzyl-5-fluoro-3,3-bis(prop-2-ynyl)indol-2-one
CID 102098870
1'-benzyl-3-(cyclopentanecarbonyl)-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839193
3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
(7R)-1'-benzyl-4-(4-fluorophenyl)spiro[4,8,9-triazatricyclo[6.3.0.02,6]undecane-7,3'-indole]-2',3,5,10-tetrone
CID 132505467
CID 93115305
CID 93115305
(2S)-3-(3-ethylphenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92692568
1-benzyl-5-bromo-3,3-difluoroindol-2-one
CID 102306574
3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927161
5-[(3-fluorophenyl)methyl]-1,1-dioxo-2-phenyl-2,3-dihydro-1λ6,5-benzothiazepin-4-one
CID 20890408
3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The IUPAC name of 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione (CID 102291883) is 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione.
What is the SMILES notation for 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The canonical SMILES for 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione is O=C1CC(c2ccccc2)C2(C(=O)N(Cc3ccccc3)c3ccc(F)cc32)N1c1ccccc1.
What is the InChIKey of 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione?
The InChIKey is GALPNKUQIILCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O2/c31-23-16-17-27-26(18-23)30(29(35)32(27)20-21-10-4-1-5-11-21)25(22-12-6-2-7-13-22)19-28(34)33(30)24-14-8-3-9-15-24/h1-18,25H,19-20H2.
What are the key properties of 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione?
1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione has a molecular weight of 462.52 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione is sourced from PubChem (CID 102291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).