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

C18H17FN2O3 — CID 2964350

IUPACN-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C18H17FN2O3/c1-24-16-4-2-3-15(10-16)21-11-12(9-17(21)22)18(23)20-14-7-5-13(19)6-8-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyICQBKMFZDXFMEE-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.83
Rot. Bonds4

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

N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2964350) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2964350
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C18H17FN2O3/c1-24-16-4-2-3-15(10-16)21-11-12(9-17(21)22)18(23)20-14-7-5-13(19)6-8-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyICQBKMFZDXFMEE-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2964350) is N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ICQBKMFZDXFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-24-16-4-2-3-15(10-16)21-11-12(9-17(21)22)18(23)20-14-7-5-13(19)6-8-14/h2-8,10,12H,9,11H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2964350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).