3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

C17H15FN2O3 — CID 43844574

IUPAC3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O3/c1-23-15-9-5-4-8-14(15)20-16(21)10-13(17(20)22)19-12-7-3-2-6-11(12)18/h2-9,13,19H,10H2,1H3
InChIKeyQDUDNXHSXJSGCU-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 43844574) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID43844574
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O3/c1-23-15-9-5-4-8-14(15)20-16(21)10-13(17(20)22)19-12-7-3-2-6-11(12)18/h2-9,13,19H,10H2,1H3
InChIKeyQDUDNXHSXJSGCU-UHFFFAOYSA-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

(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 17078305
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
3-[[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methylbenzoate
CID 2126425
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (CID 43844574) is 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccccc1N1C(=O)CC(Nc2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is QDUDNXHSXJSGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-15-9-5-4-8-14(15)20-16(21)10-13(17(20)22)19-12-7-3-2-6-11(12)18/h2-9,13,19H,10H2,1H3.
What are the key properties of 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
3-(2-fluoroanilino)-1-(2-methoxyphenyl)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 3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).