(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

C19H19FN2O2 — CID 51860019

IUPAC(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-7-5-4-6-14(15)20/h4-9,16,21H,10H2,1-3H3/t16-/m0/s1
InChIKeyQULPUSQAHRYIEA-INIZCTEOSA-N
MW326.37 g/mol
LogP3.49
Rot. Bonds3

About (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 51860019) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID51860019
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-7-5-4-6-14(15)20/h4-9,16,21H,10H2,1-3H3/t16-/m0/s1
InChIKeyQULPUSQAHRYIEA-INIZCTEOSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.49
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

(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860012
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 43844516
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 51860019) is (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c(C)c1.
What is the InChIKey of (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is QULPUSQAHRYIEA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-7-5-4-6-14(15)20/h4-9,16,21H,10H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 326.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).