2-bromo-N-(4-bromo-3-methylphenyl)propanamide

C10H11Br2NO — CID 12708491

IUPAC2-bromo-N-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)Br)ccc1Br
InChIInChI=1S/C10H11Br2NO/c1-6-5-8(3-4-9(6)12)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
InChIKeyIFWRABRCIZOJDV-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.48
Rot. Bonds2

About 2-bromo-N-(4-bromo-3-methylphenyl)propanamide

2-bromo-N-(4-bromo-3-methylphenyl)propanamide (PubChem CID 12708491) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-3-methylphenyl)propanamide
PubChem CID12708491
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name2-bromo-N-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)Br)ccc1Br
InChIInChI=1S/C10H11Br2NO/c1-6-5-8(3-4-9(6)12)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
InChIKeyIFWRABRCIZOJDV-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-bromo-3-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-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
CID 97237997
2-bromo-N-(3-bromo-4-iodophenyl)propanamide
CID 130499859
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-3-methylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-bromo-3-methylphenyl)propanamide (CID 12708491) is 2-bromo-N-(4-bromo-3-methylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-3-methylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-bromo-3-methylphenyl)propanamide is Cc1cc(NC(=O)C(C)Br)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-3-methylphenyl)propanamide?
The InChIKey is IFWRABRCIZOJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-6-5-8(3-4-9(6)12)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-bromo-3-methylphenyl)propanamide?
2-bromo-N-(4-bromo-3-methylphenyl)propanamide has a molecular weight of 321.01 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-3-methylphenyl)propanamide is sourced from PubChem (CID 12708491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).