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

C21H23Cl2F2N3O4 — CID 146457928

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(C[C@@H](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)/t14-/m1/s1
InChIKeyHUHRRHXCVNKHPD-CQSZACIVSA-N
MW490.33 g/mol
LogP2.74
Rot. Bonds9

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

2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide (PubChem CID 146457928) 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-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
PubChem CID146457928
Molecular FormulaC21H23Cl2F2N3O4
Molecular Weight490.33 g/mol
Exact Mass489.10
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCN(C[C@@H](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)/t14-/m1/s1
InChIKeyHUHRRHXCVNKHPD-CQSZACIVSA-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

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-3-(4-nitrosopiperazin-1-yl)propan-2-ol
CID 146458065
5-chloro-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfane
CID 163457714
2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 153373094
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
2-(4-chloro-3-fluorophenoxy)-N-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131
[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
CID 175222959
[1-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]pyrrolidin-3-yl]methyl carbamate
CID 175195941
2-chloro-5-[2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]amino]-2-oxoethoxy]-N-hydroxybenzeneamine oxide
CID 163994338
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
tert-butyl N-[1-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 155076375
2-(4-chloro-3-fluorophenoxy)-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]-3,5-dimethylcyclohexyl]acetamide
CID 166788581
5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
CID 146457770

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide (CID 146457928) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NN1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The InChIKey is HUHRRHXCVNKHPD-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-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-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 146457928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).