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

C15H20FNO3 — CID 91914822

IUPAC2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)COc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H20FNO3/c1-15(6-8-19-9-7-15)11-17-14(18)10-20-13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyQGCAOMJACCVXGZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.14
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 91914822) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID91914822
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)COc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H20FNO3/c1-15(6-8-19-9-7-15)11-17-14(18)10-20-13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyQGCAOMJACCVXGZ-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093
2-(4-fluorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 134027111
4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542713
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 91914822) is 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide is CC1(CNC(=O)COc2ccc(F)cc2)CCOCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is QGCAOMJACCVXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(6-8-19-9-7-15)11-17-14(18)10-20-13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 281.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 91914822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).