2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide

C13H15BrFNO2 — CID 124572619

IUPAC2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
SMILESCC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(15)3-4-9(8)14/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyGYDJUHFHGBJGMS-GHMZBOCLSA-N
MW316.17 g/mol
LogP2.48
Rot. Bonds2

About 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide

2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide (PubChem CID 124572619) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
PubChem CID124572619
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
SMILESCC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(15)3-4-9(8)14/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyGYDJUHFHGBJGMS-GHMZBOCLSA-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

2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60667301
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
CID 104956536
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide (CID 124572619) is 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide is CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide?
The InChIKey is GYDJUHFHGBJGMS-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(15)3-4-9(8)14/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide?
2-bromo-5-fluoro-N-[(1R,3R)-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 2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide is sourced from PubChem (CID 124572619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).