4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide

C11H11Br2F2NO — CID 114308125

IUPAC4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H11Br2F2NO/c1-11(2,5-12)16-10(17)9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyIBVNIIIHARVAAK-UHFFFAOYSA-N
MW371.02 g/mol
LogP3.63
Rot. Bonds3

About 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide (PubChem CID 114308125) has the molecular formula C11H11Br2F2NO and a molecular weight of 371.02 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
PubChem CID114308125
Molecular FormulaC11H11Br2F2NO
Molecular Weight371.02 g/mol
Exact Mass368.92
IUPAC Name4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H11Br2F2NO/c1-11(2,5-12)16-10(17)9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyIBVNIIIHARVAAK-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide 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

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
4-bromo-N-(1-chloro-3-methylpentan-3-yl)-2,6-difluorobenzamide
CID 114153064
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089
4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
CID 114310689
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
CID 106145101
4-bromo-2,6-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103747096
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
CID 142805040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide (CID 114308125) is 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide is CC(C)(CBr)NC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide?
The InChIKey is IBVNIIIHARVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F2NO/c1-11(2,5-12)16-10(17)9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide?
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide has a molecular weight of 371.02 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 114308125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).