N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide

C16H21FN2O3 — CID 110736947

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(C)(C)N1CC(NC(=O)COc2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)19-9-12(8-15(19)21)18-14(20)10-22-13-6-4-11(17)5-7-13/h4-7,12H,8-10H2,1-3H3,(H,18,20)
InChIKeyUAIZQQRQBRJWOE-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds4

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 110736947) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID110736947
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(C)(C)N1CC(NC(=O)COc2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)19-9-12(8-15(19)21)18-14(20)10-22-13-6-4-11(17)5-7-13/h4-7,12H,8-10H2,1-3H3,(H,18,20)
InChIKeyUAIZQQRQBRJWOE-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7563716
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-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563476
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide (CID 110736947) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide is CC(C)(C)N1CC(NC(=O)COc2ccc(F)cc2)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is UAIZQQRQBRJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,3)19-9-12(8-15(19)21)18-14(20)10-22-13-6-4-11(17)5-7-13/h4-7,12H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 110736947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).