2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide

C21H23Cl2F2N3O3 — CID 146457883

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H23Cl2F2N3O3/c22-17-3-1-15(11-19(17)24)30-10-7-26-14-5-8-28(9-6-14)27-21(29)13-31-16-2-4-18(23)20(25)12-16/h1-4,11-12,14,26H,5-10,13H2,(H,27,29)
InChIKeyYTQYTPANDZGIHA-UHFFFAOYSA-N
MW474.34 g/mol
LogP3.81
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide (PubChem CID 146457883) has the molecular formula C21H23Cl2F2N3O3 and a molecular weight of 474.34 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide
PubChem CID146457883
Molecular FormulaC21H23Cl2F2N3O3
Molecular Weight474.34 g/mol
Exact Mass473.11
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H23Cl2F2N3O3/c22-17-3-1-15(11-19(17)24)30-10-7-26-14-5-8-28(9-6-14)27-21(29)13-31-16-2-4-18(23)20(25)12-16/h1-4,11-12,14,26H,5-10,13H2,(H,27,29)
InChIKeyYTQYTPANDZGIHA-UHFFFAOYSA-N
XLogP3.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-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-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide (CID 146457883) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NN1CCC(NCCOc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is YTQYTPANDZGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2F2N3O3/c22-17-3-1-15(11-19(17)24)30-10-7-26-14-5-8-28(9-6-14)27-21(29)13-31-16-2-4-18(23)20(25)12-16/h1-4,11-12,14,26H,5-10,13H2,(H,27,29).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 474.34 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 146457883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).