5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide

C14H9BrF3NO2 — CID 5274057

IUPAC5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrF3NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)
InChIKeyZKCFHRYMOQJJGQ-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.43
Rot. Bonds2

About 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide

5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 5274057) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID5274057
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrF3NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)
InChIKeyZKCFHRYMOQJJGQ-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide (CID 5274057) is 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZKCFHRYMOQJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21).
What are the key properties of 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide?
5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 360.13 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5274057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).