2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C13H15Br2NO2 — CID 114629951

IUPAC2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(14)3-4-9(8)15/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyXPVWBANXIXVYPZ-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.10
Rot. Bonds2

About 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 114629951) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID114629951
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(14)3-4-9(8)15/h3-5,10-11,17H,6H2,1-2H3,(H,16,18)
InChIKeyXPVWBANXIXVYPZ-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
CID 104956536
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 114372423
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 114629951) is 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is XPVWBANXIXVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c1-13(2)10(6-11(13)17)16-12(18)8-5-7(14)3-4-9(8)15/h3-5,10-11,17H,6H2,1-2H3,(H,16,18).
What are the key properties of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 114629951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).