N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide

C17H18FNO3 — CID 78824888

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1ccccc1O
InChIInChI=1S/C17H18FNO3/c1-12(13-7-9-14(18)10-8-13)19(2)17(21)11-22-16-6-4-3-5-15(16)20/h3-10,12,20H,11H2,1-2H3
InChIKeyHVELGYHXHZHFKL-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.13
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide

N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide (PubChem CID 78824888) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
PubChem CID78824888
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1ccccc1O
InChIInChI=1S/C17H18FNO3/c1-12(13-7-9-14(18)10-8-13)19(2)17(21)11-22-16-6-4-3-5-15(16)20/h3-10,12,20H,11H2,1-2H3
InChIKeyHVELGYHXHZHFKL-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
CID 51928084
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
2-(2-methoxyphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9470980
2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid
CID 119179923
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide (CID 78824888) is N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)COc1ccccc1O.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide?
The InChIKey is HVELGYHXHZHFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-12(13-7-9-14(18)10-8-13)19(2)17(21)11-22-16-6-4-3-5-15(16)20/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide has a molecular weight of 303.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 78824888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).