1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

C19H15ClN2O2 — CID 18833657

IUPAC1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H15ClN2O2/c1-11-18(14-7-2-3-8-16(14)21-11)15-10-17(23)22(19(15)24)13-6-4-5-12(20)9-13/h2-9,15,21H,10H2,1H3
InChIKeySRZQHMZZEGWDGU-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.18
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 18833657) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID18833657
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H15ClN2O2/c1-11-18(14-7-2-3-8-16(14)21-11)15-10-17(23)22(19(15)24)13-6-4-5-12(20)9-13/h2-9,15,21H,10H2,1H3
InChIKeySRZQHMZZEGWDGU-UHFFFAOYSA-N
XLogP4.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 16584249
(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98234962
(10R,15S)-10-(3-chlorophenyl)-13-(3-methylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 40872331
1-(3-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 4836109
1-(3-chloro-4-fluorophenyl)-3-(1-methyl-4-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 66501725
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
CID 46298369
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
CID 17121690

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 18833657) is 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is Cc1[nH]c2ccccc2c1C1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is SRZQHMZZEGWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-11-18(14-7-2-3-8-16(14)21-11)15-10-17(23)22(19(15)24)13-6-4-5-12(20)9-13/h2-9,15,21H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 338.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18833657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).