N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide

C8H5BrF3NO2 — CID 135043080

IUPACN-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Br)ccc1O)C(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15)
InChIKeyRXSHRBISQIQOLP-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.66
Rot. Bonds1

About N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide

N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 135043080) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID135043080
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(Br)ccc1O)C(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15)
InChIKeyRXSHRBISQIQOLP-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide (CID 135043080) is N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cc(Br)ccc1O)C(F)(F)F.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is RXSHRBISQIQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-4-1-2-6(14)5(3-4)13-7(15)8(10,11)12/h1-3,14H,(H,13,15).
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide?
N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 284.03 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).