2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

C21H25Cl2N3O3 — CID 42266468

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(N2CCN(CCNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H25Cl2N3O3/c1-28-18-5-3-17(4-6-18)26-12-10-25(11-13-26)9-8-24-21(27)15-29-20-7-2-16(22)14-19(20)23/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyXTRAYWCKPPFMIB-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.32
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 42266468) has the molecular formula C21H25Cl2N3O3 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID42266468
Molecular FormulaC21H25Cl2N3O3
Molecular Weight438.36 g/mol
Exact Mass437.13
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(N2CCN(CCNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H25Cl2N3O3/c1-28-18-5-3-17(4-6-18)26-12-10-25(11-13-26)9-8-24-21(27)15-29-20-7-2-16(22)14-19(20)23/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyXTRAYWCKPPFMIB-UHFFFAOYSA-N
XLogP3.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N'-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268515
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (CID 42266468) is 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is COc1ccc(N2CCN(CCNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is XTRAYWCKPPFMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3/c1-28-18-5-3-17(4-6-18)26-12-10-25(11-13-26)9-8-24-21(27)15-29-20-7-2-16(22)14-19(20)23/h2-7,14H,8-13,15H2,1H3,(H,24,27).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 438.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42266468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).