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

C17H18ClNO3 — CID 110891946

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccccc1CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(13-6-8-15(18)9-7-13)19-17(21)11-22-16-5-3-2-4-14(16)10-20/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyRMTOBWLEBBFVNS-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.09
Rot. Bonds6

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

N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide (PubChem CID 110891946) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
PubChem CID110891946
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccccc1CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(13-6-8-15(18)9-7-13)19-17(21)11-22-16-5-3-2-4-14(16)10-20/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyRMTOBWLEBBFVNS-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 7948811
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 132652703
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide (CID 110891946) is N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide is CC(NC(=O)COc1ccccc1CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is RMTOBWLEBBFVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12(13-6-8-15(18)9-7-13)19-17(21)11-22-16-5-3-2-4-14(16)10-20/h2-9,12,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 110891946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).