3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione

C26H21ClN2O2 — CID 110569294

IUPAC3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C26H21ClN2O2/c1-17-6-8-18(9-7-17)16-29-25(30)23(20-10-12-21(27)13-11-20)24(26(29)31)28-15-14-19-4-2-3-5-22(19)28/h2-13H,14-16H2,1H3
InChIKeyOCTFVPVXQKQSQQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.99
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110569294) 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-[(4-methylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
PubChem CID110569294
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC Name3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C26H21ClN2O2/c1-17-6-8-18(9-7-17)16-29-25(30)23(20-10-12-21(27)13-11-20)24(26(29)31)28-15-14-19-4-2-3-5-22(19)28/h2-13H,14-16H2,1H3
InChIKeyOCTFVPVXQKQSQQ-UHFFFAOYSA-N
XLogP4.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.99
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

1-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546253
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110570223
1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578391
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110570379
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110572220
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110541189
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572184
1-benzyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546487
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
3-(2,3-dihydroindol-1-yl)-1-[(2-fluorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556702

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione (CID 110569294) is 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione is Cc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is OCTFVPVXQKQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2/c1-17-6-8-18(9-7-17)16-29-25(30)23(20-10-12-21(27)13-11-20)24(26(29)31)28-15-14-19-4-2-3-5-22(19)28/h2-13H,14-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 428.92 g/mol, XLogP of 4.99, 4 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-[(4-methylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110569294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).