3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C20H23Cl2N3O — CID 112504717

IUPAC3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-24-9-11-25(12-10-24)19(17-7-2-3-8-18(17)22)14-23-20(26)15-5-4-6-16(21)13-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)
InChIKeyMOWVHZLONOMKNW-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 112504717) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID112504717
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-24-9-11-25(12-10-24)19(17-7-2-3-8-18(17)22)14-23-20(26)15-5-4-6-16(21)13-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)
InChIKeyMOWVHZLONOMKNW-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 112504717) is 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is CN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is MOWVHZLONOMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-24-9-11-25(12-10-24)19(17-7-2-3-8-18(17)22)14-23-20(26)15-5-4-6-16(21)13-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 392.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 112504717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).