4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C13H11F3N2O4 — CID 139526306

IUPAC4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C(O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H11F3N2O4/c1-18-11(21)8(9(19)12(18)22)10(20)17-7-4-2-6(3-5-7)13(14,15)16/h2-5,8-9,19H,1H3,(H,17,20)
InChIKeyOIDSEDXXPKXTID-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.62
Rot. Bonds2

About 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 139526306) has the molecular formula C13H11F3N2O4 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID139526306
Molecular FormulaC13H11F3N2O4
Molecular Weight316.24 g/mol
Exact Mass316.07
IUPAC Name4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C(O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H11F3N2O4/c1-18-11(21)8(9(19)12(18)22)10(20)17-7-4-2-6(3-5-7)13(14,15)16/h2-5,8-9,19H,1H3,(H,17,20)
InChIKeyOIDSEDXXPKXTID-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 70595319
(3S,4S)-4-(3,5-difluorophenyl)-1-methyl-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411892
7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
CID 56629241
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
(3S,4S)-N-(3,4-difluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412268
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
(3S,4R)-2-methyl-1-oxo-3-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 92654517
(3S,4S)-N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412284
1-[4-(trifluoromethyl)phenyl]-3-[[(2R,3R,4R,5R)-3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl]methyl]urea
CID 10001324
(13S,13aR)-8-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 92655794
N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167872368

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 139526306) is 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN1C(=O)C(O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is OIDSEDXXPKXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4/c1-18-11(21)8(9(19)12(18)22)10(20)17-7-4-2-6(3-5-7)13(14,15)16/h2-5,8-9,19H,1H3,(H,17,20).
What are the key properties of 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139526306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).