5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

C20H15ClFN3O3 — CID 56970776

IUPAC5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCN1CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H15ClFN3O3/c1-24-9-13-16(18(27)25(17(13)26)12-5-3-11(22)4-6-12)20(24)14-8-10(21)2-7-15(14)23-19(20)28/h2-8,13,16H,9H2,1H3,(H,23,28)
InChIKeyLUNLEWAMTYKVKX-UHFFFAOYSA-N
MW399.81 g/mol
LogP2.38
Rot. Bonds1

About 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (PubChem CID 56970776) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione.

Molecular Properties

Compound Name5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
PubChem CID56970776
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
SMILESCN1CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H15ClFN3O3/c1-24-9-13-16(18(27)25(17(13)26)12-5-3-11(22)4-6-12)20(24)14-8-10(21)2-7-15(14)23-19(20)28/h2-8,13,16H,9H2,1H3,(H,23,28)
InChIKeyLUNLEWAMTYKVKX-UHFFFAOYSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The IUPAC name of 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione (CID 56970776) is 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione.
What is the SMILES notation for 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The canonical SMILES for 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione is CN1CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
The InChIKey is LUNLEWAMTYKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-24-9-13-16(18(27)25(17(13)26)12-5-3-11(22)4-6-12)20(24)14-8-10(21)2-7-15(14)23-19(20)28/h2-8,13,16H,9H2,1H3,(H,23,28).
What are the key properties of 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione?
5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione has a molecular weight of 399.81 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5'-(4-fluorophenyl)-2'-methylspiro[1H-indole-3,3'-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione is sourced from PubChem (CID 56970776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).