3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

C14H8Br2F3NO2 — CID 20906

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IUPAC3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyVYKKDKFTDMVOBU-UHFFFAOYSA-N
MW439.03 g/mol
LogP5.19
Rot. Bonds2

About 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 20906) has the molecular formula C14H8Br2F3NO2 and a molecular weight of 439.03 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID20906
Molecular FormulaC14H8Br2F3NO2
Molecular Weight439.03 g/mol
Exact Mass436.89
IUPAC Name3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyVYKKDKFTDMVOBU-UHFFFAOYSA-N
XLogP5.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.03
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4',5-Tribromosalicylanilide
CID 14868
Bromochlorosalicylanilide
CID 77254
5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide
CID 14839
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
4,5-Dibromosalicylanilide
CID 90538
Metabromsalan
CID 17404
5-bromo-N-(3-chlorophenyl)-2-hydroxybenzamide
CID 487714
5-bromo-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5274057
3,4,5-Tribromosalicylanilide
CID 90539
4'-Bromosalicylanilide
CID 75817
N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 1184681
3,5-dibromo-N-(4-chlorophenyl)-2-hydroxybenzamide
CID 352408

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 20906) is 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VYKKDKFTDMVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22).
What are the key properties of 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 439.03 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 20906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).