1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

C25H25FN2O2 — CID 110543980

IUPAC1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1
InChIInChI=1S/C25H25FN2O2/c26-19-13-11-18(12-14-19)22-23(27-16-15-17-7-5-6-10-21(17)27)25(30)28(24(22)29)20-8-3-1-2-4-9-20/h5-7,10-14,20H,1-4,8-9,15-16H2
InChIKeyUSUXXWSPOQARJI-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.69
Rot. Bonds3

About 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110543980) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110543980
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1
InChIInChI=1S/C25H25FN2O2/c26-19-13-11-18(12-14-19)22-23(27-16-15-17-7-5-6-10-21(17)27)25(30)28(24(22)29)20-8-3-1-2-4-9-20/h5-7,10-14,20H,1-4,8-9,15-16H2
InChIKeyUSUXXWSPOQARJI-UHFFFAOYSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110543980) is 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is O=C1C(c2ccc(F)cc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is USUXXWSPOQARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-19-13-11-18(12-14-19)22-23(27-16-15-17-7-5-6-10-21(17)27)25(30)28(24(22)29)20-8-3-1-2-4-9-20/h5-7,10-14,20H,1-4,8-9,15-16H2.
What are the key properties of 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 404.49 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110543980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).