(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione

C18H15F3N2O4 — CID 2058986

IUPAC(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C18H15F3N2O4/c1-26-13-8-4-12(5-9-13)23-16(24)10-15(17(23)25)22-11-2-6-14(7-3-11)27-18(19,20)21/h2-9,15,22H,10H2,1H3/t15-/m1/s1
InChIKeyZMIADVVVXPEIRT-OAHLLOKOSA-N
MW380.32 g/mol
LogP3.34
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione

(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione (PubChem CID 2058986) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
PubChem CID2058986
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C18H15F3N2O4/c1-26-13-8-4-12(5-9-13)23-16(24)10-15(17(23)25)22-11-2-6-14(7-3-11)27-18(19,20)21/h2-9,15,22H,10H2,1H3/t15-/m1/s1
InChIKeyZMIADVVVXPEIRT-OAHLLOKOSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3S)-1-(4-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 986889
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione (CID 2058986) is (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The InChIKey is ZMIADVVVXPEIRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c1-26-13-8-4-12(5-9-13)23-16(24)10-15(17(23)25)22-11-2-6-14(7-3-11)27-18(19,20)21/h2-9,15,22H,10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione has a molecular weight of 380.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2058986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).