5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C11H16BrClN2O — CID 119500891

IUPAC5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-8-3-4-9(12)7-10(8)11(15)14-6-5-13-2;/h3-4,7,13H,5-6H2,1-2H3,(H,14,15);1H
InChIKeySSACOPHVWDRUFM-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119500891) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119500891
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(Br)ccc1C.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-8-3-4-9(12)7-10(8)11(15)14-6-5-13-2;/h3-4,7,13H,5-6H2,1-2H3,(H,14,15);1H
InChIKeySSACOPHVWDRUFM-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
5-bromo-2-methyl-N-[2-(prop-2-enoylamino)ethyl]benzamide
CID 71998630
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
CID 65308301
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119500891) is 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cc(Br)ccc1C.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is SSACOPHVWDRUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-8-3-4-9(12)7-10(8)11(15)14-6-5-13-2;/h3-4,7,13H,5-6H2,1-2H3,(H,14,15);1H.
What are the key properties of 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119500891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).