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

C15H23BrClN3O — CID 24761088

IUPACN-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(Br)c2)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-3-18-6-8-19(9-7-18)11-15(20)17-13-5-4-12(2)14(16)10-13;/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20);1H
InChIKeyLSHDOIUPIBKATL-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.76
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 24761088) has the molecular formula C15H23BrClN3O and a molecular weight of 376.73 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID24761088
Molecular FormulaC15H23BrClN3O
Molecular Weight376.73 g/mol
Exact Mass375.07
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(Br)c2)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-3-18-6-8-19(9-7-18)11-15(20)17-13-5-4-12(2)14(16)10-13;/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20);1H
InChIKeyLSHDOIUPIBKATL-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.76
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-ethylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride (CID 24761088) is N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride is CCN1CCN(CC(=O)Nc2ccc(C)c(Br)c2)CC1.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is LSHDOIUPIBKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.ClH/c1-3-18-6-8-19(9-7-18)11-15(20)17-13-5-4-12(2)14(16)10-13;/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 376.73 g/mol, XLogP of 2.76, 4 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-ethylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 24761088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).