1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione

C24H16F2N2O2 — CID 110562035

IUPAC1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCc3ccccc32)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C24H16F2N2O2/c25-18-11-10-17(14-19(18)26)28-23(29)21(16-7-2-1-3-8-16)22(24(28)30)27-13-12-15-6-4-5-9-20(15)27/h1-11,14H,12-13H2
InChIKeyRGTFMVBOFYUPGP-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.31
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione

1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110562035) has the molecular formula C24H16F2N2O2 and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110562035
Molecular FormulaC24H16F2N2O2
Molecular Weight402.40 g/mol
Exact Mass402.12
IUPAC Name1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCc3ccccc32)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C24H16F2N2O2/c25-18-11-10-17(14-19(18)26)28-23(29)21(16-7-2-1-3-8-16)22(24(28)30)27-13-12-15-6-4-5-9-20(15)27/h1-11,14H,12-13H2
InChIKeyRGTFMVBOFYUPGP-UHFFFAOYSA-N
XLogP4.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.31
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

N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563725
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
1-(3,5-dichlorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544782
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
1-(2,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545995
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110570379
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543134
3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542035
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione (CID 110562035) is 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCc3ccccc32)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is RGTFMVBOFYUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O2/c25-18-11-10-17(14-19(18)26)28-23(29)21(16-7-2-1-3-8-16)22(24(28)30)27-13-12-15-6-4-5-9-20(15)27/h1-11,14H,12-13H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione?
1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 402.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110562035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).