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

C26H21FN2O2 — CID 110579500

IUPAC3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C26H21FN2O2/c1-16-11-12-19(17(2)15-16)23-24(28-14-13-18-7-3-5-9-21(18)28)26(31)29(25(23)30)22-10-6-4-8-20(22)27/h3-12,15H,13-14H2,1-2H3
InChIKeyQOPPJWNVDSPTAI-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.79
Rot. Bonds3

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

3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110579500) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
PubChem CID110579500
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C26H21FN2O2/c1-16-11-12-19(17(2)15-16)23-24(28-14-13-18-7-3-5-9-21(18)28)26(31)29(25(23)30)22-10-6-4-8-20(22)27/h3-12,15H,13-14H2,1-2H3
InChIKeyQOPPJWNVDSPTAI-UHFFFAOYSA-N
XLogP4.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.79
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)-4-(2,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110579822
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579587
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580068
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579487
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110577847
3-(2,3-dihydroindol-1-yl)-1-(2,5-dimethoxyphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579610
1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578224
1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578391
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579485
1-[(2-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578146
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110579664
1-(2,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567788

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (CID 110579500) is 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3F)C2=O)c(C)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is QOPPJWNVDSPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c1-16-11-12-19(17(2)15-16)23-24(28-14-13-18-7-3-5-9-21(18)28)26(31)29(25(23)30)22-10-6-4-8-20(22)27/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 412.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110579500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).