N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide

C17H19BrN2O2 — CID 100828331

IUPACN-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cc(N)cc(Br)c1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C17H19BrN2O2/c1-10-5-4-6-11(2)17(10)22-9-15(21)20-16-12(3)7-13(19)8-14(16)18/h4-8H,9,19H2,1-3H3,(H,20,21)
InChIKeyFJVMIAJDKKBLGJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.97
Rot. Bonds4

About N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 100828331) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID100828331
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cc(N)cc(Br)c1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C17H19BrN2O2/c1-10-5-4-6-11(2)17(10)22-9-15(21)20-16-12(3)7-13(19)8-14(16)18/h4-8H,9,19H2,1-3H3,(H,20,21)
InChIKeyFJVMIAJDKKBLGJ-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 100828348
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
2-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide
CID 100816637
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 100828331) is N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cc(N)cc(Br)c1NC(=O)COc1c(C)cccc1C.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is FJVMIAJDKKBLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-10-5-4-6-11(2)17(10)22-9-15(21)20-16-12(3)7-13(19)8-14(16)18/h4-8H,9,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 100828331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).