2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide

C17H25Cl2N3O2 — CID 55660167

IUPAC2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
SMILESCCN1CCN(CCCNC(=O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O2/c1-2-21-8-10-22(11-9-21)7-3-6-20-17(23)13-24-16-12-14(18)4-5-15(16)19/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyGCXARUHIDAPXSU-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.52
Rot. Bonds8

About 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide

2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide (PubChem CID 55660167) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
PubChem CID55660167
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
SMILESCCN1CCN(CCCNC(=O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O2/c1-2-21-8-10-22(11-9-21)7-3-6-20-17(23)13-24-16-12-14(18)4-5-15(16)19/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyGCXARUHIDAPXSU-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrate;dihydrochloride
CID 23623040
4-[[2-(2,5-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43241696
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 55660304
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide (CID 55660167) is 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide is CCN1CCN(CCCNC(=O)COc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
The InChIKey is GCXARUHIDAPXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O2/c1-2-21-8-10-22(11-9-21)7-3-6-20-17(23)13-24-16-12-14(18)4-5-15(16)19/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide has a molecular weight of 374.31 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 55660167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).