N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

C17H18FNO3 — CID 110876946

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12(14-4-6-15(18)7-5-14)19-17(21)11-22-16-8-2-13(10-20)3-9-16/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyYZWAISHQRMGORQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.57
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 110876946) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
PubChem CID110876946
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12(14-4-6-15(18)7-5-14)19-17(21)11-22-16-8-2-13(10-20)3-9-16/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyYZWAISHQRMGORQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (CID 110876946) is N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is CC(NC(=O)COc1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is YZWAISHQRMGORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-12(14-4-6-15(18)7-5-14)19-17(21)11-22-16-8-2-13(10-20)3-9-16/h2-9,12,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 110876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).