(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C20H18F3NO2 — CID 1108196

IUPAC(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C20H18F3NO2/c1-12-6-8-14(9-7-12)10-17-13(2)18(25)24(19(17)26)16-5-3-4-15(11-16)20(21,22)23/h3-9,11,13,17H,10H2,1-2H3/t13-,17-/m0/s1
InChIKeyLIPCTGGFOGLSIF-GUYCJALGSA-N
MW361.36 g/mol
LogP4.38
Rot. Bonds3

About (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 1108196) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID1108196
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C20H18F3NO2/c1-12-6-8-14(9-7-12)10-17-13(2)18(25)24(19(17)26)16-5-3-4-15(11-16)20(21,22)23/h3-9,11,13,17H,10H2,1-2H3/t13-,17-/m0/s1
InChIKeyLIPCTGGFOGLSIF-GUYCJALGSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 774577
3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2850158
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
6-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009972
(3aS,4R,7S,7aS)-4,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 27233869
5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 61314233
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
1-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 4518922
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110573499

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 1108196) is (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is Cc1ccc(C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is LIPCTGGFOGLSIF-GUYCJALGSA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-12-6-8-14(9-7-12)10-17-13(2)18(25)24(19(17)26)16-5-3-4-15(11-16)20(21,22)23/h3-9,11,13,17H,10H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 361.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1108196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).