2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide

C13H18BrN3O — CID 83016178

IUPAC2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C(=O)NN2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-10-3-4-11(12(14)9-10)13(18)15-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyFSCLGXMJSIHMNF-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.65
Rot. Bonds2

About 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide

2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 83016178) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID83016178
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C(=O)NN2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-10-3-4-11(12(14)9-10)13(18)15-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyFSCLGXMJSIHMNF-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
2-bromo-N',N',4-trimethylbenzohydrazide
CID 83016175
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
CID 115279131
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 9204696
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide (CID 83016178) is 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(C(=O)NN2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FSCLGXMJSIHMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-10-3-4-11(12(14)9-10)13(18)15-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide?
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 83016178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).