5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione

C18H11Cl2FN2O3 — CID 69258247

IUPAC5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc12
InChIInChI=1S/C18H11Cl2FN2O3/c19-10-2-4-14-12(5-10)18(7-15(24)22-16(18)25)17(26)23(14)8-9-1-3-11(21)6-13(9)20/h1-6H,7-8H2,(H,22,24,25)
InChIKeyKSOYWAZBGJBPPR-UHFFFAOYSA-N
MW393.20 g/mol
LogP2.96
Rot. Bonds2

About 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione

5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione (PubChem CID 69258247) has the molecular formula C18H11Cl2FN2O3 and a molecular weight of 393.20 g/mol. Its IUPAC name is 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione.

Molecular Properties

Compound Name5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
PubChem CID69258247
Molecular FormulaC18H11Cl2FN2O3
Molecular Weight393.20 g/mol
Exact Mass392.01
IUPAC Name5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
SMILESO=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc12
InChIInChI=1S/C18H11Cl2FN2O3/c19-10-2-4-14-12(5-10)18(7-15(24)22-16(18)25)17(26)23(14)8-9-1-3-11(21)6-13(9)20/h1-6H,7-8H2,(H,22,24,25)
InChIKeyKSOYWAZBGJBPPR-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione?
The IUPAC name of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione (CID 69258247) is 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione.
What is the SMILES notation for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione?
The canonical SMILES for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione is O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione?
The InChIKey is KSOYWAZBGJBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O3/c19-10-2-4-14-12(5-10)18(7-15(24)22-16(18)25)17(26)23(14)8-9-1-3-11(21)6-13(9)20/h1-6H,7-8H2,(H,22,24,25).
What are the key properties of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione?
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione has a molecular weight of 393.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione is sourced from PubChem (CID 69258247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).