2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C17H17ClFNO3 — CID 112978965

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-22-14-4-2-3-12(9-14)7-8-20-17(21)11-23-16-6-5-13(19)10-15(16)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyFEPVADLUTDZWMI-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.23
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 112978965) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID112978965
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-22-14-4-2-3-12(9-14)7-8-20-17(21)11-23-16-6-5-13(19)10-15(16)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyFEPVADLUTDZWMI-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 112978965) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)COc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is FEPVADLUTDZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-22-14-4-2-3-12(9-14)7-8-20-17(21)11-23-16-6-5-13(19)10-15(16)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 337.78 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 112978965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).