N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide

C17H18FNO2 — CID 86925373

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
SMILESCC(c1ccccc1F)N(C)C(=O)COc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-13(15-10-6-7-11-16(15)18)19(2)17(20)12-21-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyFMEVKLDDSDLEKX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide (PubChem CID 86925373) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
PubChem CID86925373
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
SMILESCC(c1ccccc1F)N(C)C(=O)COc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-13(15-10-6-7-11-16(15)18)19(2)17(20)12-21-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyFMEVKLDDSDLEKX-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 87010594
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984247
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide (CID 86925373) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide is CC(c1ccccc1F)N(C)C(=O)COc1ccccc1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide?
The InChIKey is FMEVKLDDSDLEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13(15-10-6-7-11-16(15)18)19(2)17(20)12-21-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide has a molecular weight of 287.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 86925373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).