4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C9H7BrF3NO2 — CID 103830485

IUPAC4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H7BrF3NO2/c10-6-2-1-5(3-7(6)15)8(16)14-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyXVAZUXGATYSHEP-UHFFFAOYSA-N
MW298.06 g/mol
LogP2.45
Rot. Bonds2

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

4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103830485) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103830485
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC Name4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H7BrF3NO2/c10-6-2-1-5(3-7(6)15)8(16)14-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyXVAZUXGATYSHEP-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 103830485) is 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XVAZUXGATYSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c10-6-2-1-5(3-7(6)15)8(16)14-4-9(11,12)13/h1-3,15H,4H2,(H,14,16).
What are the key properties of 4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 298.06 g/mol, XLogP of 2.45, 2 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-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103830485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).