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

C21H26ClN3O — CID 6465296

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)c1C
InChIInChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)14-21(26)23-19-8-5-7-18(22)17(19)3/h4-9H,10-14H2,1-3H3,(H,23,26)
InChIKeyINZCIEOUIRLRPS-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.03
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (PubChem CID 6465296) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
PubChem CID6465296
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)c1C
InChIInChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)14-21(26)23-19-8-5-7-18(22)17(19)3/h4-9H,10-14H2,1-3H3,(H,23,26)
InChIKeyINZCIEOUIRLRPS-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
N-(3-chloro-2-methylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434250
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (CID 6465296) is N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The InChIKey is INZCIEOUIRLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)14-21(26)23-19-8-5-7-18(22)17(19)3/h4-9H,10-14H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide has a molecular weight of 371.91 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6465296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).