3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione

C23H21ClN2O2 — CID 110584827

IUPAC3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C23H21ClN2O2/c1-14-8-9-17(15(2)12-14)20-21(24)23(28)26(22(20)27)11-10-16-13-25(3)19-7-5-4-6-18(16)19/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNRKNKSNCQJSBDX-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.36
Rot. Bonds4

About 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione

3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione (PubChem CID 110584827) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
PubChem CID110584827
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C23H21ClN2O2/c1-14-8-9-17(15(2)12-14)20-21(24)23(28)26(22(20)27)11-10-16-13-25(3)19-7-5-4-6-18(16)19/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNRKNKSNCQJSBDX-UHFFFAOYSA-N
XLogP4.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3,4-dimethoxyphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110583659
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
3-chloro-1-[2-(1-methylindol-3-yl)ethyl]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110582482
3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110581819
3-[2-hydroxyethyl(methyl)amino]-1-[2-(1-methylindol-3-yl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571697
3-ethylsulfanyl-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558563
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110578010
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
3-(4-fluorophenyl)-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylsulfanylpyrrole-2,5-dione
CID 110543043
3-(2,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110577918
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558554
3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110543041

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione (CID 110584827) is 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
The InChIKey is NRKNKSNCQJSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-14-8-9-17(15(2)12-14)20-21(24)23(28)26(22(20)27)11-10-16-13-25(3)19-7-5-4-6-18(16)19/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione?
3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 392.89 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 110584827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).