2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide

C21H24FNO4 — CID 27449015

IUPAC2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)COc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C21H24FNO4/c1-25-17-8-6-16(7-9-17)21(10-12-26-13-11-21)15-23-20(24)14-27-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3,(H,23,24)
InChIKeyOQGWMMLZAJSBGV-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.08
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide (PubChem CID 27449015) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide
PubChem CID27449015
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)COc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C21H24FNO4/c1-25-17-8-6-16(7-9-17)21(10-12-26-13-11-21)15-23-20(24)14-27-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3,(H,23,24)
InChIKeyOQGWMMLZAJSBGV-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide (CID 27449015) is 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide is COc1ccc(C2(CNC(=O)COc3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide?
The InChIKey is OQGWMMLZAJSBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-25-17-8-6-16(7-9-17)21(10-12-26-13-11-21)15-23-20(24)14-27-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3,(H,23,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 27449015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).