N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide

C21H26ClN3O2 — CID 2670276

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-16-6-4-5-7-20(16)27-15-21(26)23-18-14-17(22)8-9-19(18)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXXZJMHXJOOCWAS-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.67
Rot. Bonds6

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide (PubChem CID 2670276) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide
PubChem CID2670276
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-16-6-4-5-7-20(16)27-15-21(26)23-18-14-17(22)8-9-19(18)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXXZJMHXJOOCWAS-UHFFFAOYSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide (CID 2670276) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide?
The InChIKey is XXZJMHXJOOCWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-16-6-4-5-7-20(16)27-15-21(26)23-18-14-17(22)8-9-19(18)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-ethylphenoxy)acetamide is sourced from PubChem (CID 2670276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).