4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide

C11H11BrF3NO2 — CID 103873578

IUPAC4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrF3NO2/c12-8-3-2-7(6-9(8)17)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyOVUAWPAXLOHFOG-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.23
Rot. Bonds4

About 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide

4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 103873578) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID103873578
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC Name4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrF3NO2/c12-8-3-2-7(6-9(8)17)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyOVUAWPAXLOHFOG-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide (CID 103873578) is 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide is O=C(NCCCC(F)(F)F)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is OVUAWPAXLOHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c12-8-3-2-7(6-9(8)17)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 326.11 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 103873578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).