2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide

C17H18FNO4 — CID 71876569

IUPAC2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(O)CNC(=O)COc2ccccc2F)c1
InChIInChI=1S/C17H18FNO4/c1-22-13-6-4-5-12(9-13)15(20)10-19-17(21)11-23-16-8-3-2-7-14(16)18/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyBBUQXYGZCCTSHV-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.06
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 71876569) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID71876569
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(O)CNC(=O)COc2ccccc2F)c1
InChIInChI=1S/C17H18FNO4/c1-22-13-6-4-5-12(9-13)15(20)10-19-17(21)11-23-16-8-3-2-7-14(16)18/h2-9,15,20H,10-11H2,1H3,(H,19,21)
InChIKeyBBUQXYGZCCTSHV-UHFFFAOYSA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide (CID 71876569) is 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(C(O)CNC(=O)COc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is BBUQXYGZCCTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-22-13-6-4-5-12(9-13)15(20)10-19-17(21)11-23-16-8-3-2-7-14(16)18/h2-9,15,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 71876569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).