2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide

C20H21Cl2FN2O3 — CID 137380567

IUPAC2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(F)CN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21Cl2FN2O3/c21-15-1-5-17(6-2-15)27-10-9-25-13-20(23,14-25)12-24-19(26)11-28-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,24,26)
InChIKeyDPRZYSBHBOEDCC-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.59
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide (PubChem CID 137380567) has the molecular formula C20H21Cl2FN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide
PubChem CID137380567
Molecular FormulaC20H21Cl2FN2O3
Molecular Weight427.30 g/mol
Exact Mass426.09
IUPAC Name2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(F)CN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21Cl2FN2O3/c21-15-1-5-17(6-2-15)27-10-9-25-13-20(23,14-25)12-24-19(26)11-28-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,24,26)
InChIKeyDPRZYSBHBOEDCC-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide (CID 137380567) is 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1(F)CN(CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide?
The InChIKey is DPRZYSBHBOEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O3/c21-15-1-5-17(6-2-15)27-10-9-25-13-20(23,14-25)12-24-19(26)11-28-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide has a molecular weight of 427.30 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 137380567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).