2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

C18H17FN2O3 — CID 26994100

IUPAC2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H17FN2O3/c1-21(10-11-23-16-8-4-15(19)5-9-16)18(22)13-24-17-6-2-14(12-20)3-7-17/h2-9H,10-11,13H2,1H3
InChIKeyOOZGXWAGOHMACU-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.61
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 26994100) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID26994100
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H17FN2O3/c1-21(10-11-23-16-8-4-15(19)5-9-16)18(22)13-24-17-6-2-14(12-20)3-7-17/h2-9H,10-11,13H2,1H3
InChIKeyOOZGXWAGOHMACU-UHFFFAOYSA-N
XLogP2.61
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 60518308
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (CID 26994100) is 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is OOZGXWAGOHMACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-21(10-11-23-16-8-4-15(19)5-9-16)18(22)13-24-17-6-2-14(12-20)3-7-17/h2-9H,10-11,13H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 328.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 26994100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).