N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C21H25Cl2N3O2 — CID 9259807

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c1Cl
InChIInChI=1S/C21H25Cl2N3O2/c1-16-7-8-18(22)21(20(16)23)24-19(27)15-26-11-9-25(10-12-26)13-14-28-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,24,27)
InChIKeyUOVLGLJAIDYITL-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.94
Rot. Bonds7

About N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 9259807) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID9259807
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c1Cl
InChIInChI=1S/C21H25Cl2N3O2/c1-16-7-8-18(22)21(20(16)23)24-19(27)15-26-11-9-25(10-12-26)13-14-28-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,24,27)
InChIKeyUOVLGLJAIDYITL-UHFFFAOYSA-N
XLogP3.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17494198
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 9259807) is N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is UOVLGLJAIDYITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-16-7-8-18(22)21(20(16)23)24-19(27)15-26-11-9-25(10-12-26)13-14-28-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,24,27).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 422.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9259807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).