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

C19H16F3NO2 — CID 774577

IUPAC(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C19H16F3NO2/c1-12-5-7-13(8-6-12)9-14-10-17(24)23(18(14)25)16-4-2-3-15(11-16)19(20,21)22/h2-8,11,14H,9-10H2,1H3/t14-/m0/s1
InChIKeyUPSVPVGJAUEQSF-AWEZNQCLSA-N
MW347.34 g/mol
LogP4.14
Rot. Bonds3

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

(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 774577) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID774577
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C19H16F3NO2/c1-12-5-7-13(8-6-12)9-14-10-17(24)23(18(14)25)16-4-2-3-15(11-16)19(20,21)22/h2-8,11,14H,9-10H2,1H3/t14-/m0/s1
InChIKeyUPSVPVGJAUEQSF-AWEZNQCLSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.14
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

3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2850158
(3S,4S)-3-methyl-4-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1108196
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
3-[(4-methylphenyl)methyl]-1-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2,5-dione
CID 3767317
(3S)-3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2002534
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 3758336
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261
(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2085450
N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1080723

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 774577) is (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is Cc1ccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1.
What is the InChIKey of (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is UPSVPVGJAUEQSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-12-5-7-13(8-6-12)9-14-10-17(24)23(18(14)25)16-4-2-3-15(11-16)19(20,21)22/h2-8,11,14H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 347.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 774577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).