N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride

C23H31Cl2N3O2 — CID 52985111

IUPACN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1C.Cl
InChIInChI=1S/C23H30ClN3O2.ClH/c1-17-5-4-6-22(18(17)2)29-16-23(28)25-15-21(19-7-9-20(24)10-8-19)27-13-11-26(3)12-14-27;/h4-10,21H,11-16H2,1-3H3,(H,25,28);1H
InChIKeyMINODBYTTVWYQY-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.86
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride

N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 52985111) has the molecular formula C23H31Cl2N3O2 and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
PubChem CID52985111
Molecular FormulaC23H31Cl2N3O2
Molecular Weight452.43 g/mol
Exact Mass451.18
IUPAC NameN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1C.Cl
InChIInChI=1S/C23H30ClN3O2.ClH/c1-17-5-4-6-22(18(17)2)29-16-23(28)25-15-21(19-7-9-20(24)10-8-19)27-13-11-26(3)12-14-27;/h4-10,21H,11-16H2,1-3H3,(H,25,28);1H
InChIKeyMINODBYTTVWYQY-UHFFFAOYSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride with MolForge

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17014091
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
N-[(2R)-2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 35043945
acetonitrile;N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
CID 175662902
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
2-(2,3-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577562
2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604367
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride (CID 52985111) is N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride is Cc1cccc(OCC(=O)NCC(c2ccc(Cl)cc2)N2CCN(C)CC2)c1C.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is MINODBYTTVWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2.ClH/c1-17-5-4-6-22(18(17)2)29-16-23(28)25-15-21(19-7-9-20(24)10-8-19)27-13-11-26(3)12-14-27;/h4-10,21H,11-16H2,1-3H3,(H,25,28);1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride?
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 452.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 52985111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).