N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H19FN2O3 — CID 4880699

IUPACN-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H19FN2O3/c1-20(10-13-4-2-5-15(19)8-13)18(23)14-9-17(22)21(11-14)12-16-6-3-7-24-16/h2-8,14H,9-12H2,1H3
InChIKeyIXBFZWPREAGINU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.43
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 4880699) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID4880699
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H19FN2O3/c1-20(10-13-4-2-5-15(19)8-13)18(23)14-9-17(22)21(11-14)12-16-6-3-7-24-16/h2-8,14H,9-12H2,1H3
InChIKeyIXBFZWPREAGINU-UHFFFAOYSA-N
XLogP2.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 4880699) is N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXBFZWPREAGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-20(10-13-4-2-5-15(19)8-13)18(23)14-9-17(22)21(11-14)12-16-6-3-7-24-16/h2-8,14H,9-12H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4880699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).