N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C24H18F4N2O2Se — CID 176646743

IUPACN-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(c2cccc(C(F)(F)F)c2)C1([Se]c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H18F4N2O2Se/c25-19-11-4-5-12-20(19)30-22(32)23(33-17-9-2-1-3-10-17)18(14-29-21(23)31)15-7-6-8-16(13-15)24(26,27)28/h1-13,18H,14H2,(H,29,31)(H,30,32)
InChIKeyZNSUILXIFDRUOW-UHFFFAOYSA-N
MW521.37 g/mol
LogP3.88
Rot. Bonds5

About N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 176646743) has the molecular formula C24H18F4N2O2Se and a molecular weight of 521.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID176646743
Molecular FormulaC24H18F4N2O2Se
Molecular Weight521.37 g/mol
Exact Mass522.05
IUPAC NameN-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(c2cccc(C(F)(F)F)c2)C1([Se]c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H18F4N2O2Se/c25-19-11-4-5-12-20(19)30-22(32)23(33-17-9-2-1-3-10-17)18(14-29-21(23)31)15-7-6-8-16(13-15)24(26,27)28/h1-13,18H,14H2,(H,29,31)(H,30,32)
InChIKeyZNSUILXIFDRUOW-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 176646743) is N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C1NCC(c2cccc(C(F)(F)F)c2)C1([Se]c1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZNSUILXIFDRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2Se/c25-19-11-4-5-12-20(19)30-22(32)23(33-17-9-2-1-3-10-17)18(14-29-21(23)31)15-7-6-8-16(13-15)24(26,27)28/h1-13,18H,14H2,(H,29,31)(H,30,32).
What are the key properties of N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 521.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-oxo-3-phenylselanyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 176646743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).