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

C18H17FN2O2 — CID 43844748

IUPAC3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)c1C
InChIInChI=1S/C18H17FN2O2/c1-11-4-3-5-15(12(11)2)20-16-10-17(22)21(18(16)23)14-8-6-13(19)7-9-14/h3-9,16,20H,10H2,1-2H3
InChIKeyFQSHNRPKNNGNJZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.19
Rot. Bonds3

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

3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 43844748) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID43844748
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)c1C
InChIInChI=1S/C18H17FN2O2/c1-11-4-3-5-15(12(11)2)20-16-10-17(22)21(18(16)23)14-8-6-13(19)7-9-14/h3-9,16,20H,10H2,1-2H3
InChIKeyFQSHNRPKNNGNJZ-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 93235170
3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43827326
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860244
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 43844748) is 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is Cc1cccc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is FQSHNRPKNNGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-4-3-5-15(12(11)2)20-16-10-17(22)21(18(16)23)14-8-6-13(19)7-9-14/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 312.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).