N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide

C13H15FN2O3 — CID 141244329

IUPACN-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC(c2ccc(O)c(F)c2)C(=O)N1
InChIInChI=1S/C13H15FN2O3/c1-7(17)15-6-9-5-10(13(19)16-9)8-2-3-12(18)11(14)4-8/h2-4,9-10,18H,5-6H2,1H3,(H,15,17)(H,16,19)/t9-,10?/m0/s1
InChIKeySJBMEKHZBXWAQM-RGURZIINSA-N
MW266.27 g/mol
LogP0.64
Rot. Bonds3

About N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide

N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide (PubChem CID 141244329) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
PubChem CID141244329
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CC(c2ccc(O)c(F)c2)C(=O)N1
InChIInChI=1S/C13H15FN2O3/c1-7(17)15-6-9-5-10(13(19)16-9)8-2-3-12(18)11(14)4-8/h2-4,9-10,18H,5-6H2,1H3,(H,15,17)(H,16,19)/t9-,10?/m0/s1
InChIKeySJBMEKHZBXWAQM-RGURZIINSA-N
XLogP0.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide (CID 141244329) is N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CC(c2ccc(O)c(F)c2)C(=O)N1.
What is the InChIKey of N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The InChIKey is SJBMEKHZBXWAQM-RGURZIINSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-7(17)15-6-9-5-10(13(19)16-9)8-2-3-12(18)11(14)4-8/h2-4,9-10,18H,5-6H2,1H3,(H,15,17)(H,16,19)/t9-,10?/m0/s1.
What are the key properties of N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide?
N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide has a molecular weight of 266.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(3-fluoro-4-hydroxyphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 141244329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).