N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide

C11H14BrNO2 — CID 60794685

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)5-8(2)11(7)13-10(14)6-15-3/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyPUXZVPJYUDHLNJ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.65
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide

N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide (PubChem CID 60794685) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
PubChem CID60794685
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)5-8(2)11(7)13-10(14)6-15-3/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyPUXZVPJYUDHLNJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113224139
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] 3-methoxybenzoate
CID 126212933
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]propanamide
CID 823759
N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123313382

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide (CID 60794685) is N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide is COCC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide?
The InChIKey is PUXZVPJYUDHLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-9(12)5-8(2)11(7)13-10(14)6-15-3/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide has a molecular weight of 272.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 60794685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).