2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide

C21H23Cl2F2N3O4 — CID 146457748

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(CC(O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H23Cl2F2N3O4/c22-17-3-1-15(9-19(17)24)31-12-14(29)11-27-5-7-28(8-6-27)26-21(30)13-32-16-2-4-18(23)20(25)10-16/h1-4,9-10,14,29H,5-8,11-13H2,(H,26,30)
InChIKeyHUHRRHXCVNKHPD-UHFFFAOYSA-N
MW490.33 g/mol
LogP2.74
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide (PubChem CID 146457748) has the molecular formula C21H23Cl2F2N3O4 and a molecular weight of 490.33 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
PubChem CID146457748
Molecular FormulaC21H23Cl2F2N3O4
Molecular Weight490.33 g/mol
Exact Mass489.10
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(CC(O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H23Cl2F2N3O4/c22-17-3-1-15(9-19(17)24)31-12-14(29)11-27-5-7-28(8-6-27)26-21(30)13-32-16-2-4-18(23)20(25)10-16/h1-4,9-10,14,29H,5-8,11-13H2,(H,26,30)
InChIKeyHUHRRHXCVNKHPD-UHFFFAOYSA-N
XLogP2.74
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide (CID 146457748) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NN1CCN(CC(O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The InChIKey is HUHRRHXCVNKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2F2N3O4/c22-17-3-1-15(9-19(17)24)31-12-14(29)11-27-5-7-28(8-6-27)26-21(30)13-32-16-2-4-18(23)20(25)10-16/h1-4,9-10,14,29H,5-8,11-13H2,(H,26,30).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide has a molecular weight of 490.33 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 146457748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).