3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C20H13F3N2O2 — CID 5327717

IUPAC3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H13F3N2O2/c1-25-10-13(11-6-3-5-9-15(11)25)17-16(18(26)24-19(17)27)12-7-2-4-8-14(12)20(21,22)23/h2-10H,1H3,(H,24,26,27)
InChIKeyREXQMUUMBIEMKR-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.76
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 5327717) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID5327717
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H13F3N2O2/c1-25-10-13(11-6-3-5-9-15(11)25)17-16(18(26)24-19(17)27)12-7-2-4-8-14(12)20(21,22)23/h2-10H,1H3,(H,24,26,27)
InChIKeyREXQMUUMBIEMKR-UHFFFAOYSA-N
XLogP3.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
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 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 5327717) is 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is Cn1cc(C2=C(c3ccccc3C(F)(F)F)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is REXQMUUMBIEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c1-25-10-13(11-6-3-5-9-15(11)25)17-16(18(26)24-19(17)27)12-7-2-4-8-14(12)20(21,22)23/h2-10H,1H3,(H,24,26,27).
What are the key properties of 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 370.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 5327717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).