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

C11H12BrF2NO — CID 114308135

IUPACN-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/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)
InChIKeySYGOYQQYGHYYTD-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.87
Rot. Bonds3

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

N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide (PubChem CID 114308135) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
PubChem CID114308135
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
SMILESCC(C)(CBr)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/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)
InChIKeySYGOYQQYGHYYTD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.87
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

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
CID 70119044
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide (CID 114308135) is N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide is CC(C)(CBr)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide?
The InChIKey is SYGOYQQYGHYYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/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 N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide?
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide has a molecular weight of 292.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 114308135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).