5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide

C11H9BrF3NO — CID 155293429

IUPAC5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
SMILESO=C(NC1CC(F)(F)C1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrF3NO/c12-6-1-2-9(13)8(3-6)10(17)16-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,16,17)
InChIKeyFIJUVRWVCMUZRW-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide

5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide (PubChem CID 155293429) has the molecular formula C11H9BrF3NO and a molecular weight of 308.10 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
PubChem CID155293429
Molecular FormulaC11H9BrF3NO
Molecular Weight308.10 g/mol
Exact Mass306.98
IUPAC Name5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
SMILESO=C(NC1CC(F)(F)C1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrF3NO/c12-6-1-2-9(13)8(3-6)10(17)16-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,16,17)
InChIKeyFIJUVRWVCMUZRW-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
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5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
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5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
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5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
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5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide (CID 155293429) is 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide is O=C(NC1CC(F)(F)C1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide?
The InChIKey is FIJUVRWVCMUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO/c12-6-1-2-9(13)8(3-6)10(17)16-7-4-11(14,15)5-7/h1-3,7H,4-5H2,(H,16,17).
What are the key properties of 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide?
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide has a molecular weight of 308.10 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide is sourced from PubChem (CID 155293429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).