N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

C21H23FN2O3 — CID 7563716

IUPACN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O3/c1-14(2)15-3-9-19(10-4-15)27-13-20(25)23-17-11-21(26)24(12-17)18-7-5-16(22)6-8-18/h3-10,14,17H,11-13H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyLYVGTBNXZTZCLG-KRWDZBQOSA-N
MW370.42 g/mol
LogP3.25
Rot. Bonds6

About N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 7563716) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID7563716
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O3/c1-14(2)15-3-9-19(10-4-15)27-13-20(25)23-17-11-21(26)24(12-17)18-7-5-16(22)6-8-18/h3-10,14,17H,11-13H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyLYVGTBNXZTZCLG-KRWDZBQOSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563476
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40925353
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 7563716) is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is LYVGTBNXZTZCLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(2)15-3-9-19(10-4-15)27-13-20(25)23-17-11-21(26)24(12-17)18-7-5-16(22)6-8-18/h3-10,14,17H,11-13H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 370.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7563716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).