2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide

C14H20BrNO — CID 18630294

IUPAC2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide
SMILESCCC(C)(C)c1cccc(C)c1NC(=O)CBr
InChIInChI=1S/C14H20BrNO/c1-5-14(3,4)11-8-6-7-10(2)13(11)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyXRTKOUAUGLMUDK-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide

2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide (PubChem CID 18630294) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide
PubChem CID18630294
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide
SMILESCCC(C)(C)c1cccc(C)c1NC(=O)CBr
InChIInChI=1S/C14H20BrNO/c1-5-14(3,4)11-8-6-7-10(2)13(11)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyXRTKOUAUGLMUDK-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzyl-6-methylphenyl)-2-bromoacetamide
CID 19694269
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
CID 89442401
CID 89442401
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
CID 23405277
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide (CID 18630294) is 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide is CCC(C)(C)c1cccc(C)c1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide?
The InChIKey is XRTKOUAUGLMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-14(3,4)11-8-6-7-10(2)13(11)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide?
2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide has a molecular weight of 298.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide is sourced from PubChem (CID 18630294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).