N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

C14H21BrClN3O — CID 24747139

IUPACN-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(C)CC2)cc1Br.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-11-3-4-12(9-13(11)15)16-14(19)10-18-7-5-17(2)6-8-18;/h3-4,9H,5-8,10H2,1-2H3,(H,16,19);1H
InChIKeyQQUTVGIRIGGJBA-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.37
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 24747139) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID24747139
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCN(C)CC2)cc1Br.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-11-3-4-12(9-13(11)15)16-14(19)10-18-7-5-17(2)6-8-18;/h3-4,9H,5-8,10H2,1-2H3,(H,16,19);1H
InChIKeyQQUTVGIRIGGJBA-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (CID 24747139) is N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is QQUTVGIRIGGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O.ClH/c1-11-3-4-12(9-13(11)15)16-14(19)10-18-7-5-17(2)6-8-18;/h3-4,9H,5-8,10H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 362.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 24747139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).