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

C19H12Cl2N2O2 — CID 5327720

IUPAC3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(Cl)cccc3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H12Cl2N2O2/c1-23-9-11(10-5-2-3-8-14(10)23)15-17(19(25)22-18(15)24)16-12(20)6-4-7-13(16)21/h2-9H,1H3,(H,22,24,25)
InChIKeyXWAKXCPKEGUXKX-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.05
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327720) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327720
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(Cl)cccc3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H12Cl2N2O2/c1-23-9-11(10-5-2-3-8-14(10)23)15-17(19(25)22-18(15)24)16-12(20)6-4-7-13(16)21/h2-9H,1H3,(H,22,24,25)
InChIKeyXWAKXCPKEGUXKX-UHFFFAOYSA-N
XLogP4.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.05
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-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327720) is 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c(Cl)cccc3Cl)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is XWAKXCPKEGUXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c1-23-9-11(10-5-2-3-8-14(10)23)15-17(19(25)22-18(15)24)16-12(20)6-4-7-13(16)21/h2-9H,1H3,(H,22,24,25).
What are the key properties of 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 371.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).