3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide

C12H17BrN2O — CID 60961459

IUPAC3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(Br)cc1NCCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-10(13)8-11(9)14-7-6-12(16)15(2)3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyXLRJPYKJZPNDOF-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.65
Rot. Bonds4

About 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide

3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide (PubChem CID 60961459) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
PubChem CID60961459
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(Br)cc1NCCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-10(13)8-11(9)14-7-6-12(16)15(2)3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyXLRJPYKJZPNDOF-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 119132968
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide (CID 60961459) is 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide is Cc1ccc(Br)cc1NCCC(=O)N(C)C.
What is the InChIKey of 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide?
The InChIKey is XLRJPYKJZPNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-4-5-10(13)8-11(9)14-7-6-12(16)15(2)3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide?
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 60961459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).