N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide

C11H15BrN2O2 — CID 104814501

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-16-6-11(15)14-10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyMYGXUVHBODFUAG-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.31
Rot. Bonds4

About N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide

N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide (PubChem CID 104814501) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
PubChem CID104814501
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-16-6-11(15)14-10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyMYGXUVHBODFUAG-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 104814354
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-ethoxyacetamide
CID 114001897
N-(3-amino-4-methylphenyl)-2-[(2-bromophenyl)methoxy]acetamide
CID 82804699
2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
CID 104815312
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide (CID 104814501) is N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1cc(N)c(C)cc1Br.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide?
The InChIKey is MYGXUVHBODFUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-16-6-11(15)14-10-5-9(13)7(2)4-8(10)12/h4-5H,3,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide?
N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide has a molecular weight of 287.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 104814501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).