(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C19H17F3N2O3 — CID 2440458

IUPAC(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H17F3N2O3/c1-11-7-8-16(27-2)13(9-11)23-14-10-17(25)24(18(14)26)15-6-4-3-5-12(15)19(20,21)22/h3-9,14,23H,10H2,1-2H3/t14-/m1/s1
InChIKeyKUPVLOWOAPEYFR-CQSZACIVSA-N
MW378.35 g/mol
LogP3.77
Rot. Bonds4

About (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2440458) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2440458
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H17F3N2O3/c1-11-7-8-16(27-2)13(9-11)23-14-10-17(25)24(18(14)26)15-6-4-3-5-12(15)19(20,21)22/h3-9,14,23H,10H2,1-2H3/t14-/m1/s1
InChIKeyKUPVLOWOAPEYFR-CQSZACIVSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 7928181
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
3-[[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methylbenzoate
CID 2126425
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2440458) is (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is COc1ccc(C)cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is KUPVLOWOAPEYFR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-11-7-8-16(27-2)13(9-11)23-14-10-17(25)24(18(14)26)15-6-4-3-5-12(15)19(20,21)22/h3-9,14,23H,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 378.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2440458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).