1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O2 — CID 3107639

IUPAC1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-2-13-3-9-17(10-4-13)22-12-14(11-18(22)23)19(24)21-16-7-5-15(20)6-8-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)
InChIKeyDFXQJHXGPXICEB-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3107639) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3107639
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-2-13-3-9-17(10-4-13)22-12-14(11-18(22)23)19(24)21-16-7-5-15(20)6-8-16/h3-10,14H,2,11-12H2,1H3,(H,21,24)
InChIKeyDFXQJHXGPXICEB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 3107639) is 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DFXQJHXGPXICEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-13-3-9-17(10-4-13)22-12-14(11-18(22)23)19(24)21-16-7-5-15(20)6-8-16/h3-10,14H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).