N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide

C11H14BrNO2 — CID 155615406

IUPACN-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(NC(C)=O)c(C)c1Br
InChIInChI=1S/C11H14BrNO2/c1-6-5-9(15-4)10(12)7(2)11(6)13-8(3)14/h5H,1-4H3,(H,13,14)
InChIKeyOSUGMHJUQZNCOB-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.03
Rot. Bonds2

About N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide

N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide (PubChem CID 155615406) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide
PubChem CID155615406
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(NC(C)=O)c(C)c1Br
InChIInChI=1S/C11H14BrNO2/c1-6-5-9(15-4)10(12)7(2)11(6)13-8(3)14/h5H,1-4H3,(H,13,14)
InChIKeyOSUGMHJUQZNCOB-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
3-(4-methoxy-2,3,6-trimethylanilino)-3-oxopropanoic acid
CID 115163267
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903
1-(4-bromo-3-methoxy-5-methylphenyl)propan-2-one
CID 84805482
N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
CID 5069097
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide?
The IUPAC name of N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide (CID 155615406) is N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide is COc1cc(C)c(NC(C)=O)c(C)c1Br.
What is the InChIKey of N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide?
The InChIKey is OSUGMHJUQZNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-5-9(15-4)10(12)7(2)11(6)13-8(3)14/h5H,1-4H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide?
N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide has a molecular weight of 272.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 155615406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).