(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C17H13F3N2O2 — CID 2085450

IUPAC(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccccc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)11-5-4-8-13(9-11)22-15(23)10-14(16(22)24)21-12-6-2-1-3-7-12/h1-9,14,21H,10H2/t14-/m0/s1
InChIKeyAFAIIGSBPYSYPK-AWEZNQCLSA-N
MW334.30 g/mol
LogP3.45
Rot. Bonds3

About (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2085450) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2085450
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccccc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)11-5-4-8-13(9-11)22-15(23)10-14(16(22)24)21-12-6-2-1-3-7-12/h1-9,14,21H,10H2/t14-/m0/s1
InChIKeyAFAIIGSBPYSYPK-AWEZNQCLSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.45
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-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 823725
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662
3-[3-(4-bromoanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43844269
2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-phenylbenzamide
CID 5263445
1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43826677

Frequently Asked Questions

What is the IUPAC name of (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2085450) is (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccccc2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is AFAIIGSBPYSYPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)11-5-4-8-13(9-11)22-15(23)10-14(16(22)24)21-12-6-2-1-3-7-12/h1-9,14,21H,10H2/t14-/m0/s1.
What are the key properties of (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 334.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2085450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).