N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride

C20H24Cl2N4O2 — CID 120770889

IUPACN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCNCC2c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C20H23ClN4O2.ClH/c1-14(26)23-17-5-7-18(8-6-17)24-20(27)13-25-10-9-22-12-19(25)15-3-2-4-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyCJCXXUANMFISIQ-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.31
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120770889) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120770889
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC NameN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCNCC2c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C20H23ClN4O2.ClH/c1-14(26)23-17-5-7-18(8-6-17)24-20(27)13-25-10-9-22-12-19(25)15-3-2-4-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyCJCXXUANMFISIQ-UHFFFAOYSA-N
XLogP3.31
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120770889) is N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)CN2CCNCC2c2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is CJCXXUANMFISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2.ClH/c1-14(26)23-17-5-7-18(8-6-17)24-20(27)13-25-10-9-22-12-19(25)15-3-2-4-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26)(H,24,27);1H.
What are the key properties of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 423.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120770889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).