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

C22H19F3N4O4 — CID 55359865

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1=O
InChIInChI=1S/C22H19F3N4O4/c1-21(14-6-3-2-4-7-14)19(32)29(20(33)26-21)27-18(31)13-10-17(30)28(12-13)16-9-5-8-15(11-16)22(23,24)25/h2-9,11,13H,10,12H2,1H3,(H,26,33)(H,27,31)
InChIKeyFTLVNVHJMXCEMD-UHFFFAOYSA-N
MW460.41 g/mol
LogP2.56
Rot. Bonds4

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

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55359865) has the molecular formula C22H19F3N4O4 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55359865
Molecular FormulaC22H19F3N4O4
Molecular Weight460.41 g/mol
Exact Mass460.14
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1=O
InChIInChI=1S/C22H19F3N4O4/c1-21(14-6-3-2-4-7-14)19(32)29(20(33)26-21)27-18(31)13-10-17(30)28(12-13)16-9-5-8-15(11-16)22(23,24)25/h2-9,11,13H,10,12H2,1H3,(H,26,33)(H,27,31)
InChIKeyFTLVNVHJMXCEMD-UHFFFAOYSA-N
XLogP2.56
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55359865) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC1(c2ccccc2)NC(=O)N(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1=O.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FTLVNVHJMXCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O4/c1-21(14-6-3-2-4-7-14)19(32)29(20(33)26-21)27-18(31)13-10-17(30)28(12-13)16-9-5-8-15(11-16)22(23,24)25/h2-9,11,13H,10,12H2,1H3,(H,26,33)(H,27,31).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 460.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55359865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).