3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione

C26H21ClN2O2 — CID 110570379

IUPAC3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)c1
InChIInChI=1S/C26H21ClN2O2/c1-16-13-17(2)15-21(14-16)29-25(30)23(19-7-9-20(27)10-8-19)24(26(29)31)28-12-11-18-5-3-4-6-22(18)28/h3-10,13-15H,11-12H2,1-2H3
InChIKeyGHSVZYOGIGZBLQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.30
Rot. Bonds3

About 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110570379) has the molecular formula C26H21ClN2O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110570379
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)c1
InChIInChI=1S/C26H21ClN2O2/c1-16-13-17(2)15-21(14-16)29-25(30)23(19-7-9-20(27)10-8-19)24(26(29)31)28-12-11-18-5-3-4-6-22(18)28/h3-10,13-15H,11-12H2,1-2H3
InChIKeyGHSVZYOGIGZBLQ-UHFFFAOYSA-N
XLogP5.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.30
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-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
1-(3,5-dichlorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544782
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550216
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569294
1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562035
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573827
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574158
1-(2,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545995

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione (CID 110570379) is 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione is Cc1cc(C)cc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is GHSVZYOGIGZBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2/c1-16-13-17(2)15-21(14-16)29-25(30)23(19-7-9-20(27)10-8-19)24(26(29)31)28-12-11-18-5-3-4-6-22(18)28/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 428.92 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110570379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).