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

C20H19Cl2F2N3O4 — CID 146457971

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C20H19Cl2F2N3O4/c21-15-3-1-13(9-17(15)23)30-11-19(28)25-27-7-5-26(6-8-27)20(29)12-31-14-2-4-16(22)18(24)10-14/h1-4,9-10H,5-8,11-12H2,(H,25,28)
InChIKeyCMPMEKPQFHQNBZ-UHFFFAOYSA-N
MW474.29 g/mol
LogP2.90
Rot. Bonds7

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

2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 146457971) has the molecular formula C20H19Cl2F2N3O4 and a molecular weight of 474.29 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID146457971
Molecular FormulaC20H19Cl2F2N3O4
Molecular Weight474.29 g/mol
Exact Mass473.07
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C20H19Cl2F2N3O4/c21-15-3-1-13(9-17(15)23)30-11-19(28)25-27-7-5-26(6-8-27)20(29)12-31-14-2-4-16(22)18(24)10-14/h1-4,9-10H,5-8,11-12H2,(H,25,28)
InChIKeyCMPMEKPQFHQNBZ-UHFFFAOYSA-N
XLogP2.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 146457971) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NN1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is CMPMEKPQFHQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F2N3O4/c21-15-3-1-13(9-17(15)23)30-11-19(28)25-27-7-5-26(6-8-27)20(29)12-31-14-2-4-16(22)18(24)10-14/h1-4,9-10H,5-8,11-12H2,(H,25,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 474.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 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)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 146457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).