N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C25H18FN3O4 — CID 56507833

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C25H18FN3O4/c26-20-10-3-4-11-21(20)28-14-15(12-22(28)30)23(31)27-16-6-5-7-17(13-16)29-24(32)18-8-1-2-9-19(18)25(29)33/h1-11,13,15H,12,14H2,(H,27,31)
InChIKeyQNSPEUWSZSOSKU-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.62
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 56507833) has the molecular formula C25H18FN3O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID56507833
Molecular FormulaC25H18FN3O4
Molecular Weight443.43 g/mol
Exact Mass443.13
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C25H18FN3O4/c26-20-10-3-4-11-21(20)28-14-15(12-22(28)30)23(31)27-16-6-5-7-17(13-16)29-24(32)18-8-1-2-9-19(18)25(29)33/h1-11,13,15H,12,14H2,(H,27,31)
InChIKeyQNSPEUWSZSOSKU-UHFFFAOYSA-N
XLogP3.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 51940220
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3S)-N-(3-fluorophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350856
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674511
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 56507833) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QNSPEUWSZSOSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4/c26-20-10-3-4-11-21(20)28-14-15(12-22(28)30)23(31)27-16-6-5-7-17(13-16)29-24(32)18-8-1-2-9-19(18)25(29)33/h1-11,13,15H,12,14H2,(H,27,31).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).