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

C20H21Cl2N3O3 — CID 646744

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2N3O3/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)13-28-19-7-2-15(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyZLMNDASMMFAVDA-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.68
Rot. Bonds5

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 646744) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID646744
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2N3O3/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)13-28-19-7-2-15(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyZLMNDASMMFAVDA-UHFFFAOYSA-N
XLogP3.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Zinc00711147
CID 1039828
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 1395053
4-[2-(2-Chloro-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 4880172
2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4880796
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-acetamidophenyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579880
2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579882
2-(2,4-Dichlorophenoxy)-N-(3-methylphenyl)acetamide
CID 668137
1-[(2-Chlorophenoxy)acetyl]-4-(2-fluorophenyl)piperazine
CID 977705

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (CID 646744) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ZLMNDASMMFAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-14(26)24-8-10-25(11-9-24)17-5-3-16(4-6-17)23-20(27)13-28-19-7-2-15(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 422.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 646744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).