4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide

C12H12BrF2NO — CID 115686751

IUPAC4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cc(Br)cc1F)C1CCC1
InChIInChI=1S/C12H12BrF2NO/c1-16(8-3-2-4-8)12(17)11-9(14)5-7(13)6-10(11)15/h5-6,8H,2-4H2,1H3
InChIKeyFJHIPMIXEWKNSM-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.35
Rot. Bonds2

About 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide

4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide (PubChem CID 115686751) has the molecular formula C12H12BrF2NO and a molecular weight of 304.13 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
PubChem CID115686751
Molecular FormulaC12H12BrF2NO
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cc(Br)cc1F)C1CCC1
InChIInChI=1S/C12H12BrF2NO/c1-16(8-3-2-4-8)12(17)11-9(14)5-7(13)6-10(11)15/h5-6,8H,2-4H2,1H3
InChIKeyFJHIPMIXEWKNSM-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
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3-bromo-N-cyclopentyl-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide (CID 115686751) is 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide is CN(C(=O)c1c(F)cc(Br)cc1F)C1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide?
The InChIKey is FJHIPMIXEWKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO/c1-16(8-3-2-4-8)12(17)11-9(14)5-7(13)6-10(11)15/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide?
4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide has a molecular weight of 304.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 115686751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).