4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride

C18H20Cl3N3O — CID 15945083

IUPAC4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O.ClH/c19-16-7-5-14(6-8-16)18(24)21-23-11-9-22(10-12-23)13-15-3-1-2-4-17(15)20;/h1-8H,9-13H2,(H,21,24);1H
InChIKeyVKZFZKMLXFQRMC-UHFFFAOYSA-N
MW400.74 g/mol
LogP3.88
Rot. Bonds4

About 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride

4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride (PubChem CID 15945083) has the molecular formula C18H20Cl3N3O and a molecular weight of 400.74 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
PubChem CID15945083
Molecular FormulaC18H20Cl3N3O
Molecular Weight400.74 g/mol
Exact Mass399.07
IUPAC Name4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O.ClH/c19-16-7-5-14(6-8-16)18(24)21-23-11-9-22(10-12-23)13-15-3-1-2-4-17(15)20;/h1-8H,9-13H2,(H,21,24);1H
InChIKeyVKZFZKMLXFQRMC-UHFFFAOYSA-N
XLogP3.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride (CID 15945083) is 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride is Cl.O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride?
The InChIKey is VKZFZKMLXFQRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O.ClH/c19-16-7-5-14(6-8-16)18(24)21-23-11-9-22(10-12-23)13-15-3-1-2-4-17(15)20;/h1-8H,9-13H2,(H,21,24);1H.
What are the key properties of 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride?
4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride has a molecular weight of 400.74 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 15945083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).