5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide

C18H20FN3O3 — CID 75371035

IUPAC5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1
InChIInChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyDSMSNOHPGJHFJB-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.02
Rot. Bonds5

About 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide

5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 75371035) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID75371035
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1
InChIInChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyDSMSNOHPGJHFJB-UHFFFAOYSA-N
XLogP2.02
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide (CID 75371035) is 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1.
What is the InChIKey of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is DSMSNOHPGJHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 75371035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).