N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide

C20H24Cl2N3O+ — CID 8529693

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O/c1-14-10-15(2)20(18(22)11-14)23-19(26)13-24-6-8-25(9-7-24)17-5-3-4-16(21)12-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)/p+1
InChIKeyBPROGKWVMSUZBL-UHFFFAOYSA-O
MW393.34 g/mol
LogP2.95
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8529693) has the molecular formula C20H24Cl2N3O+ and a molecular weight of 393.34 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8529693
Molecular FormulaC20H24Cl2N3O+
Molecular Weight393.34 g/mol
Exact Mass392.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O/c1-14-10-15(2)20(18(22)11-14)23-19(26)13-24-6-8-25(9-7-24)17-5-3-4-16(21)12-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)/p+1
InChIKeyBPROGKWVMSUZBL-UHFFFAOYSA-O
XLogP2.95
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587029
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531797
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2124469
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2685021

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide (CID 8529693) is N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is BPROGKWVMSUZBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14-10-15(2)20(18(22)11-14)23-19(26)13-24-6-8-25(9-7-24)17-5-3-4-16(21)12-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)/p+1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 393.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8529693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).