N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide

C20H21Cl2N3O2 — CID 108500858

IUPACN-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CC2)c1C
InChIInChI=1S/C20H21Cl2N3O2/c1-13-5-3-8-17(14(13)2)24-9-11-25(12-10-24)20(27)19(26)23-16-7-4-6-15(21)18(16)22/h3-8H,9-12H2,1-2H3,(H,23,26)
InChIKeyLJASBIKXJNRJPP-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.90
Rot. Bonds2

About N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide

N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108500858) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108500858
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CC2)c1C
InChIInChI=1S/C20H21Cl2N3O2/c1-13-5-3-8-17(14(13)2)24-9-11-25(12-10-24)20(27)19(26)23-16-7-4-6-15(21)18(16)22/h3-8H,9-12H2,1-2H3,(H,23,26)
InChIKeyLJASBIKXJNRJPP-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
2-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 47335495
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-(2,3-dichlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108500745
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108532336
N-(3-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902560
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108500858) is N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide is Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CC2)c1C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is LJASBIKXJNRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-13-5-3-8-17(14(13)2)24-9-11-25(12-10-24)20(27)19(26)23-16-7-4-6-15(21)18(16)22/h3-8H,9-12H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 406.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108500858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).