4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide

C14H17Br2F2NO — CID 106145101

IUPAC4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
SMILESCC(C)(CCCBr)CNC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H17Br2F2NO/c1-14(2,4-3-5-15)8-19-13(20)12-10(17)6-9(16)7-11(12)18/h6-7H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyJSKRTMKXWWFIOR-UHFFFAOYSA-N
MW413.10 g/mol
LogP4.66
Rot. Bonds6

About 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide

4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide (PubChem CID 106145101) has the molecular formula C14H17Br2F2NO and a molecular weight of 413.10 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
PubChem CID106145101
Molecular FormulaC14H17Br2F2NO
Molecular Weight413.10 g/mol
Exact Mass410.96
IUPAC Name4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
SMILESCC(C)(CCCBr)CNC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H17Br2F2NO/c1-14(2,4-3-5-15)8-19-13(20)12-10(17)6-9(16)7-11(12)18/h6-7H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyJSKRTMKXWWFIOR-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.10
LogP ≤ 54.66
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

2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluoro-5-methylbenzamide
CID 106145115
4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
CID 114149699
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
4-bromo-2,6-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103747096
N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106145428
3-bromo-N-(5-bromo-2,2-dimethylpentyl)-4-methylbenzamide
CID 106145102
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide (CID 106145101) is 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide is CC(C)(CCCBr)CNC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide?
The InChIKey is JSKRTMKXWWFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2F2NO/c1-14(2,4-3-5-15)8-19-13(20)12-10(17)6-9(16)7-11(12)18/h6-7H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide?
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide has a molecular weight of 413.10 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide is sourced from PubChem (CID 106145101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).