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

C14H15FN2O2 — CID 3148502

IUPACN-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FN2O2/c15-10-1-5-12(6-2-10)17-8-9(7-13(17)18)14(19)16-11-3-4-11/h1-2,5-6,9,11H,3-4,7-8H2,(H,16,19)
InChIKeyWZJOTKOBUBYFQS-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.46
Rot. Bonds3

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

N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3148502) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3148502
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FN2O2/c15-10-1-5-12(6-2-10)17-8-9(7-13(17)18)14(19)16-11-3-4-11/h1-2,5-6,9,11H,3-4,7-8H2,(H,16,19)
InChIKeyWZJOTKOBUBYFQS-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 3148502) is N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CC1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZJOTKOBUBYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-1-5-12(6-2-10)17-8-9(7-13(17)18)14(19)16-11-3-4-11/h1-2,5-6,9,11H,3-4,7-8H2,(H,16,19).
What are the key properties of N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3148502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).