2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride

C20H25BrClN3O — CID 24746809

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(Br)c1.Cl
InChIInChI=1S/C20H24BrN3O.ClH/c1-16-7-8-19(18(21)13-16)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17;/h2-8,13H,9-12,14-15H2,1H3,(H,22,25);1H
InChIKeyHSHGKOKAPGPBMS-UHFFFAOYSA-N
MW438.80 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride

2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride (PubChem CID 24746809) has the molecular formula C20H25BrClN3O and a molecular weight of 438.80 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride
PubChem CID24746809
Molecular FormulaC20H25BrClN3O
Molecular Weight438.80 g/mol
Exact Mass437.09
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(Br)c1.Cl
InChIInChI=1S/C20H24BrN3O.ClH/c1-16-7-8-19(18(21)13-16)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17;/h2-8,13H,9-12,14-15H2,1H3,(H,22,25);1H
InChIKeyHSHGKOKAPGPBMS-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
CID 2243596
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
(2E)-N-(2-Bromo-4-methylphenyl)-3-phenylprop-2-enamide
CID 774831
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530900
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 991645

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride (CID 24746809) is 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(Br)c1.Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is HSHGKOKAPGPBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O.ClH/c1-16-7-8-19(18(21)13-16)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17;/h2-8,13H,9-12,14-15H2,1H3,(H,22,25);1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride?
2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 438.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 24746809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).