5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide

C20H23Cl2N3O2 — CID 118583135

IUPAC5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2OCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-14-2-4-18(17(22)12-14)24-20(26)16-13-15(21)3-5-19(16)27-11-10-25-8-6-23-7-9-25/h2-5,12-13,23H,6-11H2,1H3,(H,24,26)
InChIKeyIRFIVKNTYJLQJR-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.84
Rot. Bonds6

About 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide

5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide (PubChem CID 118583135) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
PubChem CID118583135
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2OCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-14-2-4-18(17(22)12-14)24-20(26)16-13-15(21)3-5-19(16)27-11-10-25-8-6-23-7-9-25/h2-5,12-13,23H,6-11H2,1H3,(H,24,26)
InChIKeyIRFIVKNTYJLQJR-UHFFFAOYSA-N
XLogP3.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-methylphenyl)benzamide;5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-morpholin-4-ylethoxy)benzamide;tetrakis(5-chloro-N-(2-chloro-4-methylphenyl)-2-piperidin-4-yloxybenzamide)
CID 158264393
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide
CID 71527591
N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
CID 77106978
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide
CID 66928274
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide (CID 118583135) is 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide is Cc1ccc(NC(=O)c2cc(Cl)ccc2OCCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide?
The InChIKey is IRFIVKNTYJLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14-2-4-18(17(22)12-14)24-20(26)16-13-15(21)3-5-19(16)27-11-10-25-8-6-23-7-9-25/h2-5,12-13,23H,6-11H2,1H3,(H,24,26).
What are the key properties of 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide?
5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide has a molecular weight of 408.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide is sourced from PubChem (CID 118583135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).