(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione

C19H14Cl2N2O2 — CID 2010895

IUPAC(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
SMILESCn1cc([C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c2ccccc21
InChIInChI=1S/C19H14Cl2N2O2/c1-22-10-13(11-5-2-3-8-16(11)22)12-9-17(24)23(19(12)25)18-14(20)6-4-7-15(18)21/h2-8,10,12H,9H2,1H3/t12-/m0/s1
InChIKeyVMBMYWQHFKRSJD-LBPRGKRZSA-N
MW373.24 g/mol
LogP4.53
Rot. Bonds2

About (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione

(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione (PubChem CID 2010895) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
PubChem CID2010895
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
SMILESCn1cc([C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c2ccccc21
InChIInChI=1S/C19H14Cl2N2O2/c1-22-10-13(11-5-2-3-8-16(11)22)12-9-17(24)23(19(12)25)18-14(20)6-4-7-15(18)21/h2-8,10,12H,9H2,1H3/t12-/m0/s1
InChIKeyVMBMYWQHFKRSJD-LBPRGKRZSA-N
XLogP4.53
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-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

Related Compounds

(3S)-3-(1-methylindol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 946422
(3R)-1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 908648
(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 942919
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
CID 23605678
(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 2219919
3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 2988657
1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione
CID 2981951
(3R)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032601
(3S)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032606
3-(2-hydroxyethyl)-2-(1-methylindol-3-yl)-1,3-thiazolidin-4-one
CID 23995593
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
CID 53348652

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione (CID 2010895) is (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione is Cn1cc([C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c2ccccc21.
What is the InChIKey of (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is VMBMYWQHFKRSJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-22-10-13(11-5-2-3-8-16(11)22)12-9-17(24)23(19(12)25)18-14(20)6-4-7-15(18)21/h2-8,10,12H,9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione?
(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 373.24 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2010895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).