2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide

C10H10BrF2NO — CID 82110411

IUPAC2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H10BrF2NO/c1-10(2,11)9(15)14-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyYOTJLCGAYDOIGO-UHFFFAOYSA-N
MW278.10 g/mol
LogP3.08
Rot. Bonds2

About 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide

2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide (PubChem CID 82110411) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
PubChem CID82110411
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H10BrF2NO/c1-10(2,11)9(15)14-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyYOTJLCGAYDOIGO-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 53.08
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-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158193392
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
CID 70985257
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-(2,6-difluorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967857
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
CID 108962378
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropanamide
CID 108965229
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide (CID 82110411) is 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide?
The InChIKey is YOTJLCGAYDOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-10(2,11)9(15)14-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide?
2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide has a molecular weight of 278.10 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 82110411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).