2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide

C13H18BrNO — CID 23309

IUPAC2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)CBr
InChIInChI=1S/C13H18BrNO/c1-9-6-5-7-10(13(2,3)4)12(9)15-11(16)8-14/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyUYQQCQGAYIGHLJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.63
Rot. Bonds2

About 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide

2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide (PubChem CID 23309) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide
PubChem CID23309
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)CBr
InChIInChI=1S/C13H18BrNO/c1-9-6-5-7-10(13(2,3)4)12(9)15-11(16)8-14/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyUYQQCQGAYIGHLJ-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide (CID 23309) is 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide is Cc1cccc(C(C)(C)C)c1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide?
The InChIKey is UYQQCQGAYIGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-6-5-7-10(13(2,3)4)12(9)15-11(16)8-14/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide?
2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide has a molecular weight of 284.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide is sourced from PubChem (CID 23309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).