1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

C14H15F3N2O2 — CID 43636390

IUPAC1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-8(2)19-12(20)7-11(13(19)21)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,11,18H,7H2,1-2H3
InChIKeyICYHKGDEMTZAOV-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.65
Rot. Bonds3

About 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (PubChem CID 43636390) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
PubChem CID43636390
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-8(2)19-12(20)7-11(13(19)21)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,11,18H,7H2,1-2H3
InChIKeyICYHKGDEMTZAOV-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.65
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-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714
(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2085450
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-propan-2-yl-3-(quinolin-3-ylamino)pyrrolidine-2,5-dione
CID 62783272
3-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43637969
6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
CID 78202559
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
1-[(4-chlorophenyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
CID 76821112

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (CID 43636390) is 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is ICYHKGDEMTZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8(2)19-12(20)7-11(13(19)21)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,11,18H,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 300.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43636390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).