2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C21H23Cl2N3O2 — CID 55682200

IUPAC2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O2/c1-15(16-5-3-2-4-6-16)24-20(27)14-25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)
InChIKeyHZTBIINTHIBUHG-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 55682200) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID55682200
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O2/c1-15(16-5-3-2-4-6-16)24-20(27)14-25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27)
InChIKeyHZTBIINTHIBUHG-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46445403
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 55682200) is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is HZTBIINTHIBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-15(16-5-3-2-4-6-16)24-20(27)14-25-9-11-26(12-10-25)21(28)18-8-7-17(22)13-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 420.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 55682200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).