N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

C13H15FN2O2 — CID 40805225

IUPACN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)15-7-10-6-13(18)16(8-10)12-4-2-11(14)3-5-12/h2-5,10H,6-8H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyNRJRETZEOSWNAZ-SNVBAGLBSA-N
MW250.27 g/mol
LogP1.31
Rot. Bonds3

About N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide

N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 40805225) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID40805225
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)15-7-10-6-13(18)16(8-10)12-4-2-11(14)3-5-12/h2-5,10H,6-8H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyNRJRETZEOSWNAZ-SNVBAGLBSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 40805225) is N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NRJRETZEOSWNAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)15-7-10-6-13(18)16(8-10)12-4-2-11(14)3-5-12/h2-5,10H,6-8H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 40805225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).