N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide

C18H17FN2O2 — CID 43971138

IUPACN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17FN2O2/c19-14-7-4-8-16(10-14)21-12-15(11-18(21)23)20-17(22)9-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,20,22)
InChIKeyTZCGGELHLISJDF-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 43971138) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
PubChem CID43971138
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17FN2O2/c19-14-7-4-8-16(10-14)21-12-15(11-18(21)23)20-17(22)9-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,20,22)
InChIKeyTZCGGELHLISJDF-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide (CID 43971138) is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is TZCGGELHLISJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-7-4-8-16(10-14)21-12-15(11-18(21)23)20-17(22)9-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,20,22).
What are the key properties of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide?
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 312.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 43971138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).