2-bromo-3-methyl-N-(4-methylphenyl)butanamide

C12H16BrNO — CID 24690960

IUPAC2-bromo-3-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(Br)C(C)C)cc1
InChIInChI=1S/C12H16BrNO/c1-8(2)11(13)12(15)14-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,15)
InChIKeyNGUJADVNXBLLJU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.35
Rot. Bonds3

About 2-bromo-3-methyl-N-(4-methylphenyl)butanamide

2-bromo-3-methyl-N-(4-methylphenyl)butanamide (PubChem CID 24690960) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(4-methylphenyl)butanamide
PubChem CID24690960
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-3-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(Br)C(C)C)cc1
InChIInChI=1S/C12H16BrNO/c1-8(2)11(13)12(15)14-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,15)
InChIKeyNGUJADVNXBLLJU-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.35
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

2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
CID 43244711
methyl 4-[(2-bromo-3-methylbutanoyl)amino]benzoate
CID 43346448
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 43701031
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827101

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(4-methylphenyl)butanamide (CID 24690960) is 2-bromo-3-methyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(4-methylphenyl)butanamide is Cc1ccc(NC(=O)C(Br)C(C)C)cc1.
What is the InChIKey of 2-bromo-3-methyl-N-(4-methylphenyl)butanamide?
The InChIKey is NGUJADVNXBLLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)11(13)12(15)14-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-3-methyl-N-(4-methylphenyl)butanamide?
2-bromo-3-methyl-N-(4-methylphenyl)butanamide has a molecular weight of 270.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 24690960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).