1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C17H23FN2O3 — CID 6497430

IUPAC1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-12(11-23-2)19-17(22)14-9-16(21)20(10-14)8-7-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyFGKGVVCPYIBAGL-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.37
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497430) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6497430
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-12(11-23-2)19-17(22)14-9-16(21)20(10-14)8-7-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyFGKGVVCPYIBAGL-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 6497430) is 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is COCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FGKGVVCPYIBAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(11-23-2)19-17(22)14-9-16(21)20(10-14)8-7-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).