3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione

C19H11Cl3N2O2 — CID 5327722

IUPAC3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(Cl)ccc(Cl)c3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H11Cl3N2O2/c1-24-8-10(9-4-2-3-5-13(9)24)14-16(19(26)23-18(14)25)15-11(20)6-7-12(21)17(15)22/h2-8H,1H3,(H,23,25,26)
InChIKeyOZJHCSVHKOBCRK-UHFFFAOYSA-N
MW405.67 g/mol
LogP4.71
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione (PubChem CID 5327722) has the molecular formula C19H11Cl3N2O2 and a molecular weight of 405.67 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione
PubChem CID5327722
Molecular FormulaC19H11Cl3N2O2
Molecular Weight405.67 g/mol
Exact Mass403.99
IUPAC Name3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(Cl)ccc(Cl)c3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H11Cl3N2O2/c1-24-8-10(9-4-2-3-5-13(9)24)14-16(19(26)23-18(14)25)15-11(20)6-7-12(21)17(15)22/h2-8H,1H3,(H,23,25,26)
InChIKeyOZJHCSVHKOBCRK-UHFFFAOYSA-N
XLogP4.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-(2,3,6-trichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione (CID 5327722) is 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c(Cl)ccc(Cl)c3Cl)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione?
The InChIKey is OZJHCSVHKOBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O2/c1-24-8-10(9-4-2-3-5-13(9)24)14-16(19(26)23-18(14)25)15-11(20)6-7-12(21)17(15)22/h2-8H,1H3,(H,23,25,26).
What are the key properties of 3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(2,3,6-trichlorophenyl)pyrrole-2,5-dione has a molecular weight of 405.67 g/mol, XLogP of 4.71, 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-(2,3,6-trichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 5327722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).