(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

C19H19FN2O2 — CID 51860244

IUPAC(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)21-16-10-17(23)22(19(16)24)15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1
InChIKeyFDPWHYZTBJBVGY-MRXNPFEDSA-N
MW326.37 g/mol
LogP3.49
Rot. Bonds3

About (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (PubChem CID 51860244) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
PubChem CID51860244
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)21-16-10-17(23)22(19(16)24)15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1
InChIKeyFDPWHYZTBJBVGY-MRXNPFEDSA-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

(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51859833
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
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
4-[(3R)-3-(2,6-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523283
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
4-[3-(2,4-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827244

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (CID 51860244) is (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is FDPWHYZTBJBVGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-8-12(2)18(13(3)9-11)21-16-10-17(23)22(19(16)24)15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)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 (3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).