N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide

C16H17BrN2O2 — CID 100828316

IUPACN-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-5-13(6-4-10)21-9-15(20)19-16-11(2)7-12(18)8-14(16)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyBBWUCHAWHRIICW-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.67
Rot. Bonds4

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

N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 100828316) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID100828316
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-5-13(6-4-10)21-9-15(20)19-16-11(2)7-12(18)8-14(16)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyBBWUCHAWHRIICW-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.67
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-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
N-(4-amino-2-ethyl-6-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 50880901
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 100828348
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 100828362
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide
CID 100816637
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide (CID 100828316) is N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc1.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is BBWUCHAWHRIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-3-5-13(6-4-10)21-9-15(20)19-16-11(2)7-12(18)8-14(16)17/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide?
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.67, 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 100828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).