N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide

C12H17BrN2O — CID 107574214

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C12H17BrN2O/c1-7-5-10(6-8(2)11(7)13)15-12(16)9(3)14-4/h5-6,9,14H,1-4H3,(H,15,16)
InChIKeyZJXUZDDOWFZHDC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.61
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide

N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide (PubChem CID 107574214) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
PubChem CID107574214
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C12H17BrN2O/c1-7-5-10(6-8(2)11(7)13)15-12(16)9(3)14-4/h5-6,9,14H,1-4H3,(H,15,16)
InChIKeyZJXUZDDOWFZHDC-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

Analyze N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide 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

(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
(2S)-2-(methylamino)-N-(4-methylnaphthalen-2-yl)propanamide
CID 174866116
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
CID 55096712
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
N-[3-(bromomethyl)-5-(chloromethyl)phenyl]-2-(methylamino)propanamide
CID 126497029
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
1-(4-bromo-3,5-dimethylphenyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99836334
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide (CID 107574214) is N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide?
The InChIKey is ZJXUZDDOWFZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7-5-10(6-8(2)11(7)13)15-12(16)9(3)14-4/h5-6,9,14H,1-4H3,(H,15,16).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide?
N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide 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 N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 107574214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).