3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione

C19H12Cl2N2O2 — CID 50942121

IUPAC3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione
SMILES[11CH3]n1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)/i1-1
InChIKeyJCSGFHVFHSKIJH-BJUDXGSMSA-N
MW370.22 g/mol
LogP4.05
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 50942121) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 370.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione
PubChem CID50942121
Molecular FormulaC19H12Cl2N2O2
Molecular Weight370.22 g/mol
Exact Mass369.04
IUPAC Name3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione
SMILES[11CH3]n1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)/i1-1
InChIKeyJCSGFHVFHSKIJH-BJUDXGSMSA-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 ≤ 500370.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione (CID 50942121) is 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione is [11CH3]n1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is JCSGFHVFHSKIJH-BJUDXGSMSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)/i1-1.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 370.22 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-(2,4-dichlorophenyl)-4-(1-(111C)methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 50942121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).