2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide

C12H17BrN2O — CID 43116694

IUPAC2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H17BrN2O/c1-7-5-10(13)6-8(2)11(7)15-9(3)12(16)14-4/h5-6,9,15H,1-4H3,(H,14,16)
InChIKeyJTIVXVXJANHVKJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.61
Rot. Bonds3

About 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide

2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide (PubChem CID 43116694) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
PubChem CID43116694
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H17BrN2O/c1-7-5-10(13)6-8(2)11(7)15-9(3)12(16)14-4/h5-6,9,15H,1-4H3,(H,14,16)
InChIKeyJTIVXVXJANHVKJ-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126367
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033
2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
ethane;N-methyl-2-(4-methyl-2,6-dinitroanilino)propanamide
CID 165340031
N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
CID 112690775
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
CID 63448812

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide (CID 43116694) is 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide?
The InChIKey is JTIVXVXJANHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7-5-10(13)6-8(2)11(7)15-9(3)12(16)14-4/h5-6,9,15H,1-4H3,(H,14,16).
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide?
2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide is sourced from PubChem (CID 43116694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).