2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide

C21H25Cl2N3O2 — CID 52584664

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-2-25-9-11-26(12-10-25)14-16-3-6-18(7-4-16)24-21(27)15-28-20-8-5-17(22)13-19(20)23/h3-8,13H,2,9-12,14-15H2,1H3,(H,24,27)
InChIKeyYMLGWUDSEGNPMU-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.15
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 52584664) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID52584664
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-2-25-9-11-26(12-10-25)14-16-3-6-18(7-4-16)24-21(27)15-28-20-8-5-17(22)13-19(20)23/h3-8,13H,2,9-12,14-15H2,1H3,(H,24,27)
InChIKeyYMLGWUDSEGNPMU-UHFFFAOYSA-N
XLogP4.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
2-(4-chloro-2-methylphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 55729405
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
2-(2,4-dichlorophenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5024260

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide (CID 52584664) is 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide is CCN1CCN(Cc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is YMLGWUDSEGNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-2-25-9-11-26(12-10-25)14-16-3-6-18(7-4-16)24-21(27)15-28-20-8-5-17(22)13-19(20)23/h3-8,13H,2,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 52584664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).