N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C20H18ClFN2O2S — CID 16556853

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18ClFN2O2S/c1-24(9-10-26-18-7-5-15(21)6-8-18)19(25)12-17-13-27-20(23-17)14-3-2-4-16(22)11-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyBENZJVPFKZBSQB-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.68
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 16556853) has the molecular formula C20H18ClFN2O2S and a molecular weight of 404.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID16556853
Molecular FormulaC20H18ClFN2O2S
Molecular Weight404.89 g/mol
Exact Mass404.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18ClFN2O2S/c1-24(9-10-26-18-7-5-15(21)6-8-18)19(25)12-17-13-27-20(23-17)14-3-2-4-16(22)11-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyBENZJVPFKZBSQB-UHFFFAOYSA-N
XLogP4.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 16556853) is N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is BENZJVPFKZBSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2S/c1-24(9-10-26-18-7-5-15(21)6-8-18)19(25)12-17-13-27-20(23-17)14-3-2-4-16(22)11-14/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 404.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 16556853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).