N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H21FN2O2 — CID 46048508

IUPACN-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)14-3-9-17(10-4-14)23-12-11-18(20(23)25)19(24)22-16-7-5-15(21)6-8-16/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyKDKCMDBJJQOYCT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.94
Rot. Bonds4

About N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 46048508) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID46048508
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-13(2)14-3-9-17(10-4-14)23-12-11-18(20(23)25)19(24)22-16-7-5-15(21)6-8-16/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyKDKCMDBJJQOYCT-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 46048508) is N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KDKCMDBJJQOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13(2)14-3-9-17(10-4-14)23-12-11-18(20(23)25)19(24)22-16-7-5-15(21)6-8-16/h3-10,13,18H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46048508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).