N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C21H24FNO4 — CID 51125078

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H24FNO4/c1-25-18-7-2-3-8-19(18)27-14-20(24)23-15-21(9-11-26-12-10-21)16-5-4-6-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyZKKVCFUPKUCLLT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.08
Rot. Bonds7

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 51125078) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID51125078
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H24FNO4/c1-25-18-7-2-3-8-19(18)27-14-20(24)23-15-21(9-11-26-12-10-21)16-5-4-6-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyZKKVCFUPKUCLLT-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

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
(3R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132822
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111213398
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 46974939

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 51125078) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ZKKVCFUPKUCLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-25-18-7-2-3-8-19(18)27-14-20(24)23-15-21(9-11-26-12-10-21)16-5-4-6-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,24).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)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 N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 51125078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).