(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione

C18H17FN2O2 — CID 51859976

IUPAC(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1
InChIInChI=1S/C18H17FN2O2/c1-11-6-7-12(2)16(8-11)21-17(22)10-15(18(21)23)20-14-5-3-4-13(19)9-14/h3-9,15,20H,10H2,1-2H3/t15-/m0/s1
InChIKeyWACAVEGYVUEXEI-HNNXBMFYSA-N
MW312.34 g/mol
LogP3.19
Rot. Bonds3

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

(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 51859976) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID51859976
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1
InChIInChI=1S/C18H17FN2O2/c1-11-6-7-12(2)16(8-11)21-17(22)10-15(18(21)23)20-14-5-3-4-13(19)9-14/h3-9,15,20H,10H2,1-2H3/t15-/m0/s1
InChIKeyWACAVEGYVUEXEI-HNNXBMFYSA-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

3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
(3S)-1-(2,4-dimethylphenyl)-3-(3-nitroanilino)pyrrolidine-2,5-dione
CID 7928088
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 43844870
3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844459
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (CID 51859976) is (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is Cc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1.
What is the InChIKey of (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is WACAVEGYVUEXEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-6-7-12(2)16(8-11)21-17(22)10-15(18(21)23)20-14-5-3-4-13(19)9-14/h3-9,15,20H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)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 (3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51859976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).