2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide

C12H16BrNO — CID 107905090

IUPAC2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)Br)c1
InChIInChI=1S/C12H16BrNO/c1-8-5-9(2)7-11(6-8)14(4)12(15)10(3)13/h5-7,10H,1-4H3
InChIKeyXEKWRCLBKBQNCT-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.05
Rot. Bonds2

About 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide

2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide (PubChem CID 107905090) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
PubChem CID107905090
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)Br)c1
InChIInChI=1S/C12H16BrNO/c1-8-5-9(2)7-11(6-8)14(4)12(15)10(3)13/h5-7,10H,1-4H3
InChIKeyXEKWRCLBKBQNCT-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
CID 107027681
2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide
CID 103628440
2-oxo-2-(N,3,5-trimethylanilino)acetic acid
CID 62001578
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 62002126
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 62003274
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
3-bromo-4-(3,5-dimethylphenyl)pentan-2-one
CID 64718935
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide?
The IUPAC name of 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide (CID 107905090) is 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide is Cc1cc(C)cc(N(C)C(=O)C(C)Br)c1.
What is the InChIKey of 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide?
The InChIKey is XEKWRCLBKBQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-9(2)7-11(6-8)14(4)12(15)10(3)13/h5-7,10H,1-4H3.
What are the key properties of 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide?
2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide has a molecular weight of 270.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 107905090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).