N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide

C18H20ClNO3 — CID 42989371

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-9-4-5-10-17(16)23-12-18(21)20-13(2)14-7-6-8-15(19)11-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyXEJSIUKNVJPMRG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.99
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide

N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 42989371) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID42989371
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-3-22-16-9-4-5-10-17(16)23-12-18(21)20-13(2)14-7-6-8-15(19)11-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyXEJSIUKNVJPMRG-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 7787848
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832863
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842460
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7471705
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide (CID 42989371) is N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is XEJSIUKNVJPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-22-16-9-4-5-10-17(16)23-12-18(21)20-13(2)14-7-6-8-15(19)11-14/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 42989371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).