3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide

C11H12BrF2NO — CID 83405802

IUPAC3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H12BrF2NO/c1-6(2)5-15-11(16)9-8(13)4-3-7(12)10(9)14/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyNRPXAYFHQZFNOI-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.11
Rot. Bonds3

About 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide

3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 83405802) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide
PubChem CID83405802
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H12BrF2NO/c1-6(2)5-15-11(16)9-8(13)4-3-7(12)10(9)14/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyNRPXAYFHQZFNOI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
1-(3-bromo-2,6-difluorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 106941912
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
2-(aminomethyl)-1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-one
CID 106944051
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
1-(3-bromo-2,6-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 106941861
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
3-[(2,6-difluoro-3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 79773538
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide (CID 83405802) is 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1c(F)ccc(Br)c1F.
What is the InChIKey of 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide?
The InChIKey is NRPXAYFHQZFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-6(2)5-15-11(16)9-8(13)4-3-7(12)10(9)14/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide?
3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 292.12 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 83405802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).