(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione

C32H25FN2O3 — CID 139259395

IUPAC(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3c(F)cccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C32H25FN2O3/c33-27-18-10-17-25-29(27)34(21-23-13-6-2-7-14-23)31(38)32(25,20-22-11-4-1-5-12-22)26-19-28(36)35(30(26)37)24-15-8-3-9-16-24/h1-18,26H,19-21H2/t26-,32+/m0/s1
InChIKeyVEKFAAPACCFOKS-XYFQYJLHSA-N
MW504.56 g/mol
LogP5.43
Rot. Bonds6

About (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 139259395) has the molecular formula C32H25FN2O3 and a molecular weight of 504.56 g/mol. Its IUPAC name is (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID139259395
Molecular FormulaC32H25FN2O3
Molecular Weight504.56 g/mol
Exact Mass504.18
IUPAC Name(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3c(F)cccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C32H25FN2O3/c33-27-18-10-17-25-29(27)34(21-23-13-6-2-7-14-23)31(38)32(25,20-22-11-4-1-5-12-22)26-19-28(36)35(30(26)37)24-15-8-3-9-16-24/h1-18,26H,19-21H2/t26-,32+/m0/s1
InChIKeyVEKFAAPACCFOKS-XYFQYJLHSA-N
XLogP5.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione with MolForge

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Related Compounds

4-{1''-Benzyl-5-fluoro-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione}butanoic acid
CID 24776289
1-Adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
CID 71559526
[2-(Aminomethyl)-1,3-diphenylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 44449400
2-[4-[(4aR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]butyl]isoindole-1,3-dione;hydrochloride
CID 45260596
Mls002638091
CID 222715
1-Methyl-3,3-diphenylindolin-2-one
CID 3309404
(2S,4R)-4-fluoro-N-[(S)-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-phenylmethyl]-1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140558
[4-(2,3-Dihydroindole-1-carbonyl)cyclohexyl]-(2,3-dihydroindol-1-yl)methanone
CID 2239877
1-Phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 134789133
1'-(2-Fluorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134793616
1'-(4-Fluorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134794245
1-Benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795275

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione (CID 139259395) is (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione is O=C1C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3c(F)cccc32)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is VEKFAAPACCFOKS-XYFQYJLHSA-N. The full InChI is InChI=1S/C32H25FN2O3/c33-27-18-10-17-25-29(27)34(21-23-13-6-2-7-14-23)31(38)32(25,20-22-11-4-1-5-12-22)26-19-28(36)35(30(26)37)24-15-8-3-9-16-24/h1-18,26H,19-21H2/t26-,32+/m0/s1.
What are the key properties of (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 504.56 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-1,3-dibenzyl-7-fluoro-2-oxoindol-3-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 139259395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).