N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C16H15FN2O3 — CID 2815710

IUPACN-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H15FN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21)
InChIKeyMVVRRYAGIMODTE-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.41
Rot. Bonds4

About N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2815710) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2815710
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H15FN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21)
InChIKeyMVVRRYAGIMODTE-UHFFFAOYSA-N
XLogP2.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.41
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-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 2815710) is N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MVVRRYAGIMODTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.41, 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-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2815710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).