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

C10H11Br2NO — CID 115571608

IUPAC3-bromo-N-(4-bromo-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCBr
InChIInChI=1S/C10H11Br2NO/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNVQVOQNZLIKFCO-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.48
Rot. Bonds3

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

3-bromo-N-(4-bromo-2-methylphenyl)propanamide (PubChem CID 115571608) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-methylphenyl)propanamide
PubChem CID115571608
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name3-bromo-N-(4-bromo-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCBr
InChIInChI=1S/C10H11Br2NO/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNVQVOQNZLIKFCO-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 3-bromo-N-(4-bromo-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-bromo-2-methylphenyl)octanamide
CID 4582485
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
N-(4-bromo-2-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 60850398
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(4-bromo-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46600478
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-methylphenyl)propanamide (CID 115571608) is 3-bromo-N-(4-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-methylphenyl)propanamide is Cc1cc(Br)ccc1NC(=O)CCBr.
What is the InChIKey of 3-bromo-N-(4-bromo-2-methylphenyl)propanamide?
The InChIKey is NVQVOQNZLIKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(4-bromo-2-methylphenyl)propanamide?
3-bromo-N-(4-bromo-2-methylphenyl)propanamide has a molecular weight of 321.01 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 115571608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).