N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

C19H19FN2O2 — CID 110373944

IUPACN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-2-13-3-7-15(8-4-13)21-19(24)17-11-12-18(23)22(17)16-9-5-14(20)6-10-16/h3-10,17H,2,11-12H2,1H3,(H,21,24)
InChIKeyUEIYTKSWERKJOH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.52
Rot. Bonds4

About N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373944) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373944
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c1-2-13-3-7-15(8-4-13)21-19(24)17-11-12-18(23)22(17)16-9-5-14(20)6-10-16/h3-10,17H,2,11-12H2,1H3,(H,21,24)
InChIKeyUEIYTKSWERKJOH-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953364
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373944) is N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is CCc1ccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UEIYTKSWERKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-13-3-7-15(8-4-13)21-19(24)17-11-12-18(23)22(17)16-9-5-14(20)6-10-16/h3-10,17H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).