3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione

C30H25ClN2O2 — CID 142758683

IUPAC3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCc1ccc(/C=C/C2=C(c3c(Cl)n(C)c4ccccc34)C(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C30H25ClN2O2/c1-20-12-14-22(15-13-20)16-17-24-27(26-23-10-6-7-11-25(23)32(2)28(26)31)30(35)33(29(24)34)19-18-21-8-4-3-5-9-21/h3-17H,18-19H2,1-2H3/b17-16+
InChIKeyPYGHXTXYPIXAJH-WUKNDPDISA-N
MW481.00 g/mol
LogP6.22
Rot. Bonds6

About 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione

3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 142758683) has the molecular formula C30H25ClN2O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID142758683
Molecular FormulaC30H25ClN2O2
Molecular Weight481.00 g/mol
Exact Mass480.16
IUPAC Name3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCc1ccc(/C=C/C2=C(c3c(Cl)n(C)c4ccccc34)C(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C30H25ClN2O2/c1-20-12-14-22(15-13-20)16-17-24-27(26-23-10-6-7-11-25(23)32(2)28(26)31)30(35)33(29(24)34)19-18-21-8-4-3-5-9-21/h3-17H,18-19H2,1-2H3/b17-16+
InChIKeyPYGHXTXYPIXAJH-WUKNDPDISA-N
XLogP6.22
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)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

Related Compounds

2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
1-benzyl-3,4-bis(1,2-dimethylindol-3-yl)pyrrole-2,5-dione
CID 101396833
(3R)-2-[2-(4-chlorophenyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 41168726
10-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 2032213
3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione
CID 142758267
(5Z)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 126206445
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
CID 89277250
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione (CID 142758683) is 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione is Cc1ccc(/C=C/C2=C(c3c(Cl)n(C)c4ccccc34)C(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is PYGHXTXYPIXAJH-WUKNDPDISA-N. The full InChI is InChI=1S/C30H25ClN2O2/c1-20-12-14-22(15-13-20)16-17-24-27(26-23-10-6-7-11-25(23)32(2)28(26)31)30(35)33(29(24)34)19-18-21-8-4-3-5-9-21/h3-17H,18-19H2,1-2H3/b17-16+.
What are the key properties of 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 481.00 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 142758683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).