2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

C17H16Cl2FNO2 — CID 55431133

IUPAC2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-21(8-9-23-15-6-4-14(20)5-7-15)17(22)10-12-2-3-13(18)11-16(12)19/h2-7,11H,8-10H2,1H3
InChIKeyDTKHBSGGKFOPTJ-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.21
Rot. Bonds6

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

2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 55431133) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID55431133
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-21(8-9-23-15-6-4-14(20)5-7-15)17(22)10-12-2-3-13(18)11-16(12)19/h2-7,11H,8-10H2,1H3
InChIKeyDTKHBSGGKFOPTJ-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431067
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (CID 55431133) is 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is DTKHBSGGKFOPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-21(8-9-23-15-6-4-14(20)5-7-15)17(22)10-12-2-3-13(18)11-16(12)19/h2-7,11H,8-10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 356.22 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 55431133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).