2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C19H20Cl2N2O3 — CID 1329774

IUPAC2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-16-5-3-15(4-6-16)22-8-10-23(11-9-22)19(24)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3
InChIKeyNNYIRRPJSCIWFL-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.73
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 1329774) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID1329774
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-16-5-3-15(4-6-16)22-8-10-23(11-9-22)19(24)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3
InChIKeyNNYIRRPJSCIWFL-UHFFFAOYSA-N
XLogP3.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Zinc00711147
CID 1039828
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 1395053
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
4-[2-(2-Chloro-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 4880172
2-(4-chlorophenoxy)-N-(2-morpholinophenyl)propionamide
CID 16321487
2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 662966
1-[(2-Chlorophenoxy)acetyl]-4-(4-fluorophenyl)piperazine
CID 716264
2-(4-Chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 2951236
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 646744
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 798794
1-[(2-Chlorophenoxy)acetyl]-4-(2-fluorophenyl)piperazine
CID 977705
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 1329774) is 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is NNYIRRPJSCIWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-25-16-5-3-15(4-6-16)22-8-10-23(11-9-22)19(24)13-26-18-7-2-14(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 395.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1329774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).