N-(4-bromo-5-formyl-2-methylphenyl)propanamide

C11H12BrNO2 — CID 143089766

IUPACN-(4-bromo-5-formyl-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C=O)c(Br)cc1C
InChIInChI=1S/C11H12BrNO2/c1-3-11(15)13-10-5-8(6-14)9(12)4-7(10)2/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyRWAKERVIYNBXEO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.92
Rot. Bonds3

About N-(4-bromo-5-formyl-2-methylphenyl)propanamide

N-(4-bromo-5-formyl-2-methylphenyl)propanamide (PubChem CID 143089766) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(4-bromo-5-formyl-2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-5-formyl-2-methylphenyl)propanamide
PubChem CID143089766
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-(4-bromo-5-formyl-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C=O)c(Br)cc1C
InChIInChI=1S/C11H12BrNO2/c1-3-11(15)13-10-5-8(6-14)9(12)4-7(10)2/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyRWAKERVIYNBXEO-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-5-formyl-2-methylphenyl)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

N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
ethyl 2-(4-bromo-5-formyl-2-methylphenyl)acetate
CID 171010282
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
5-(2-bromo-4,5-dimethylanilino)-5-oxopentanoic acid
CID 82036907
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(2-bromo-4,5-dimethylphenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 5071903

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-formyl-2-methylphenyl)propanamide?
The IUPAC name of N-(4-bromo-5-formyl-2-methylphenyl)propanamide (CID 143089766) is N-(4-bromo-5-formyl-2-methylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-5-formyl-2-methylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-5-formyl-2-methylphenyl)propanamide is CCC(=O)Nc1cc(C=O)c(Br)cc1C.
What is the InChIKey of N-(4-bromo-5-formyl-2-methylphenyl)propanamide?
The InChIKey is RWAKERVIYNBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-3-11(15)13-10-5-8(6-14)9(12)4-7(10)2/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(4-bromo-5-formyl-2-methylphenyl)propanamide?
N-(4-bromo-5-formyl-2-methylphenyl)propanamide has a molecular weight of 270.13 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-formyl-2-methylphenyl)propanamide is sourced from PubChem (CID 143089766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).