1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

C19H15FN2O2 — CID 18833654

IUPAC1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15FN2O2/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(23)22(19(15)24)13-8-6-12(20)7-9-13/h2-9,15,21H,10H2,1H3
InChIKeyLDSXDEVTZSMHPI-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 18833654) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID18833654
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15FN2O2/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(23)22(19(15)24)13-8-6-12(20)7-9-13/h2-9,15,21H,10H2,1H3
InChIKeyLDSXDEVTZSMHPI-UHFFFAOYSA-N
XLogP3.66
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.66
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-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833657
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
CID 17121690
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331
(3S)-1-(4-acetylphenyl)-3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrolidine-2,5-dione
CID 26182928
N-[4-[3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 17121692
(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
4-[3-(1H-indol-3-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826810
(3S)-3-(1-methylindol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 946422
3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 162403351
6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
CID 134838028
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 18833654) is 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is Cc1[nH]c2ccccc2c1C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is LDSXDEVTZSMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-11-18(14-4-2-3-5-16(14)21-11)15-10-17(23)22(19(15)24)13-8-6-12(20)7-9-13/h2-9,15,21H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 322.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18833654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).