3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C13H15BrFNO2 — CID 104956529

IUPAC3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyQKVACGAARMSCFZ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.48
Rot. Bonds2

About 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 104956529) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID104956529
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyQKVACGAARMSCFZ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 104956529) is 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is QKVACGAARMSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)7-3-4-9(15)8(14)5-7/h3-5,10-11,17H,6H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 104956529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).