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

C21H21Cl2F2N3O4 — CID 146458047

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H21Cl2F2N3O4/c22-16-3-1-14(9-18(16)24)31-11-20(29)26-13-5-7-28(8-6-13)27-21(30)12-32-15-2-4-17(23)19(25)10-15/h1-4,9-10,13H,5-8,11-12H2,(H,26,29)(H,27,30)
InChIKeyBPZRSHJEZWBHAU-UHFFFAOYSA-N
MW488.32 g/mol
LogP3.34
Rot. Bonds8

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

2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide (PubChem CID 146458047) has the molecular formula C21H21Cl2F2N3O4 and a molecular weight of 488.32 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide
PubChem CID146458047
Molecular FormulaC21H21Cl2F2N3O4
Molecular Weight488.32 g/mol
Exact Mass487.09
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C21H21Cl2F2N3O4/c22-16-3-1-14(9-18(16)24)31-11-20(29)26-13-5-7-28(8-6-13)27-21(30)12-32-15-2-4-17(23)19(25)10-15/h1-4,9-10,13H,5-8,11-12H2,(H,26,29)(H,27,30)
InChIKeyBPZRSHJEZWBHAU-UHFFFAOYSA-N
XLogP3.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-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

Related Compounds

2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
N'-[(4-chlorophenoxy)acetyl]-2-oxo-2-(1-piperidinyl)acetohydrazide
CID 2218320
(3E)-3-{2-[(4-chlorophenoxy)acetyl]hydrazinylidene}-N-[3-(morpholin-4-yl)propyl]butanamide
CID 5835912
2-(4-chloro-3-fluorophenoxy)-N-[4-[[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]acetamide
CID 146457718
2-(4-chloro-3-fluorophenoxy)-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]acetamide
CID 146457721
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457747
2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457748
2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chloro-3-fluorophenoxy)propyl]piperazin-1-yl]acetamide
CID 146457751
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide
CID 146457883
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 146457971
2-(4-chloro-3-fluorophenoxy)-N-[4-[[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]acetamide
CID 146457990

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide (CID 146458047) is 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide?
The InChIKey is BPZRSHJEZWBHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F2N3O4/c22-16-3-1-14(9-18(16)24)31-11-20(29)26-13-5-7-28(8-6-13)27-21(30)12-32-15-2-4-17(23)19(25)10-15/h1-4,9-10,13H,5-8,11-12H2,(H,26,29)(H,27,30).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide has a molecular weight of 488.32 g/mol, XLogP of 3.34, 8 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-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]acetamide is sourced from PubChem (CID 146458047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).