2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C15H21FN2O2 — CID 110753601

IUPAC2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-17(10-11-18-8-2-3-9-18)15(19)12-20-14-6-4-13(16)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKeySTMWSHUOQSSZON-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.76
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 110753601) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID110753601
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-17(10-11-18-8-2-3-9-18)15(19)12-20-14-6-4-13(16)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKeySTMWSHUOQSSZON-UHFFFAOYSA-N
XLogP1.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 110753601) is 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is STMWSHUOQSSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17(10-11-18-8-2-3-9-18)15(19)12-20-14-6-4-13(16)5-7-14/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 110753601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).