2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

C18H18Cl2N4O3 — CID 22198786

IUPAC2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18Cl2N4O3/c19-16-6-5-15(11-17(16)20)23-9-7-22(8-10-23)12-18(25)21-13-1-3-14(4-2-13)24(26)27/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyMJZSYWVYXLIAHM-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 22198786) has the molecular formula C18H18Cl2N4O3 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID22198786
Molecular FormulaC18H18Cl2N4O3
Molecular Weight409.27 g/mol
Exact Mass408.08
IUPAC Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18Cl2N4O3/c19-16-6-5-15(11-17(16)20)23-9-7-22(8-10-23)12-18(25)21-13-1-3-14(4-2-13)24(26)27/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyMJZSYWVYXLIAHM-UHFFFAOYSA-N
XLogP3.66
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 27246868
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
N-(2-chloro-5-nitrophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 2082970
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
4-(3,4-dichlorophenyl)-1-ethyl-N-(4-nitrophenyl)piperazine-2-carboxamide
CID 14998843
2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 29156941
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (CID 22198786) is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is MJZSYWVYXLIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O3/c19-16-6-5-15(11-17(16)20)23-9-7-22(8-10-23)12-18(25)21-13-1-3-14(4-2-13)24(26)27/h1-6,11H,7-10,12H2,(H,21,25).
What are the key properties of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 409.27 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 22198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).