N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide

C15H19FN2O2 — CID 78982142

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(20)11-7-13(19)17-8-11/h3-6,9,11,14H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOUEMDTOULIIESO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.78
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982142) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982142
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(20)11-7-13(19)17-8-11/h3-6,9,11,14H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOUEMDTOULIIESO-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide (CID 78982142) is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide is CC(C)C(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUEMDTOULIIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(20)11-7-13(19)17-8-11/h3-6,9,11,14H,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).