4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide

C11H12Br2FNO — CID 114308107

IUPAC4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12Br2FNO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVSXIHVPTEIWJAU-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.49
Rot. Bonds3

About 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide (PubChem CID 114308107) has the molecular formula C11H12Br2FNO and a molecular weight of 353.03 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
PubChem CID114308107
Molecular FormulaC11H12Br2FNO
Molecular Weight353.03 g/mol
Exact Mass350.93
IUPAC Name4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12Br2FNO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyVSXIHVPTEIWJAU-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060193
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
4-bromo-N-(3-carbamothioylpentan-3-yl)-2-fluorobenzamide
CID 61121380
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide (CID 114308107) is 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide is CC(C)(CBr)NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide?
The InChIKey is VSXIHVPTEIWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FNO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide?
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide has a molecular weight of 353.03 g/mol, XLogP of 3.49, 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-fluorobenzamide is sourced from PubChem (CID 114308107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).