2-bromo-N-(2-methyl-1-phenylpropyl)acetamide

C12H16BrNO — CID 10492239

IUPAC2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(C)C(NC(=O)CBr)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-9(2)12(14-11(15)8-13)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)
InChIKeyXJEKCNDHRFYISR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds4

About 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide

2-bromo-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 10492239) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID10492239
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(C)C(NC(=O)CBr)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-9(2)12(14-11(15)8-13)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)
InChIKeyXJEKCNDHRFYISR-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
N-(2-methyl-1-phenylpropyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605048
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
2-(2-hydroxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 78813413
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide (CID 10492239) is 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide is CC(C)C(NC(=O)CBr)c1ccccc1.
What is the InChIKey of 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is XJEKCNDHRFYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(2)12(14-11(15)8-13)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methyl-1-phenylpropyl)acetamide?
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 270.17 g/mol, XLogP of 2.89, 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-1-phenylpropyl)acetamide is sourced from PubChem (CID 10492239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).