(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione

C17H15FN2O3 — CID 93235253

IUPAC(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O3/c1-23-15-5-3-2-4-13(15)19-14-10-16(21)20(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyCTBZWMOZOSNRJL-AWEZNQCLSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds4

About (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione

(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 93235253) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID93235253
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O3/c1-23-15-5-3-2-4-13(15)19-14-10-16(21)20(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyCTBZWMOZOSNRJL-AWEZNQCLSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.58
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

(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate
CID 98554295
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860130

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione (CID 93235253) is (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione is COc1ccccc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is CTBZWMOZOSNRJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-15-5-3-2-4-13(15)19-14-10-16(21)20(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,19H,10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 314.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).