(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

C17H12ClF3N2O2 — CID 2112714

IUPAC(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H12ClF3N2O2/c18-12-6-1-2-7-14(12)23-15(24)9-13(16(23)25)22-11-5-3-4-10(8-11)17(19,20)21/h1-8,13,22H,9H2/t13-/m1/s1
InChIKeyLNSXDUVDFRFGJY-CYBMUJFWSA-N
MW368.74 g/mol
LogP4.10
Rot. Bonds3

About (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (PubChem CID 2112714) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
PubChem CID2112714
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H12ClF3N2O2/c18-12-6-1-2-7-14(12)23-15(24)9-13(16(23)25)22-11-5-3-4-10(8-11)17(19,20)21/h1-8,13,22H,9H2/t13-/m1/s1
InChIKeyLNSXDUVDFRFGJY-CYBMUJFWSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.10
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)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2085450
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 43844870
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
3-(3-nitroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 4825803
(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (CID 2112714) is (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is O=C1C[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is LNSXDUVDFRFGJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-12-6-1-2-7-14(12)23-15(24)9-13(16(23)25)22-11-5-3-4-10(8-11)17(19,20)21/h1-8,13,22H,9H2/t13-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 368.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2112714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).