4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

C19H14F3NO4 — CID 123741180

IUPAC4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2CN(c3ccc(C(F)(F)F)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C19H14F3NO4/c1-27-14-8-2-11(3-9-14)16(24)15-10-23(18(26)17(15)25)13-6-4-12(5-7-13)19(20,21)22/h2-9,15H,10H2,1H3
InChIKeySNQALQVWZSXVCA-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.13
Rot. Bonds4

About 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 123741180) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID123741180
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2CN(c3ccc(C(F)(F)F)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C19H14F3NO4/c1-27-14-8-2-11(3-9-14)16(24)15-10-23(18(26)17(15)25)13-6-4-12(5-7-13)19(20,21)22/h2-9,15H,10H2,1H3
InChIKeySNQALQVWZSXVCA-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 39342192
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
[4-(4-methoxybenzoyl)phenyl] 4-(trifluoromethyl)benzoate
CID 101231372
methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 160580284
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045036
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 123287039

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 123741180) is 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2CN(c3ccc(C(F)(F)F)cc3)C(=O)C2=O)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is SNQALQVWZSXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-27-14-8-2-11(3-9-14)16(24)15-10-23(18(26)17(15)25)13-6-4-12(5-7-13)19(20,21)22/h2-9,15H,10H2,1H3.
What are the key properties of 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 377.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).