N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride

C9H12BrClN2O2 — CID 131159794

IUPACN-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(Br)cc1O.Cl
InChIInChI=1S/C9H11BrN2O2.ClH/c1-11-5-9(14)12-7-3-2-6(10)4-8(7)13;/h2-4,11,13H,5H2,1H3,(H,12,14);1H
InChIKeyQQMGESXEPFQVJW-UHFFFAOYSA-N
MW295.56 g/mol
LogP1.73
Rot. Bonds3

About N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride

N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 131159794) has the molecular formula C9H12BrClN2O2 and a molecular weight of 295.56 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID131159794
Molecular FormulaC9H12BrClN2O2
Molecular Weight295.56 g/mol
Exact Mass293.98
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(Br)cc1O.Cl
InChIInChI=1S/C9H11BrN2O2.ClH/c1-11-5-9(14)12-7-3-2-6(10)4-8(7)13;/h2-4,11,13H,5H2,1H3,(H,12,14);1H
InChIKeyQQMGESXEPFQVJW-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.56
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
tert-butyl N-[3-(4-bromo-2-hydroxyanilino)-3-oxopropyl]carbamate
CID 162755844
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 46450419
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
CID 113000594
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride (CID 131159794) is N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(Br)cc1O.Cl.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is QQMGESXEPFQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2.ClH/c1-11-5-9(14)12-7-3-2-6(10)4-8(7)13;/h2-4,11,13H,5H2,1H3,(H,12,14);1H.
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride?
N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 295.56 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 131159794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).