3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide

C13H8Br3NO2 — CID 14868

IUPAC3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
InChIKeyKVSKGMLNBAPGKH-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.93
Rot. Bonds2

About 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide

3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide (PubChem CID 14868) has the molecular formula C13H8Br3NO2 and a molecular weight of 449.92 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
PubChem CID14868
Molecular FormulaC13H8Br3NO2
Molecular Weight449.92 g/mol
Exact Mass446.81
IUPAC Name3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
InChIKeyKVSKGMLNBAPGKH-UHFFFAOYSA-N
XLogP4.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bromochlorosalicylanilide
CID 77254
Salicylanilide
CID 6872
Fluorophene
CID 20906
5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide
CID 14839
Resorantel
CID 65696
Metabromsalan
CID 17404
4,5-Dibromosalicylanilide
CID 90538
3,4,5-Tribromosalicylanilide
CID 90539
3-bromo-N-(4-carbamimidoylphenyl)-2-hydroxy-5-methylbenzamide
CID 23646622
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-N-(4-bromophenyl)-2-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide (CID 14868) is 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide is O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide?
The InChIKey is KVSKGMLNBAPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19).
What are the key properties of 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide?
3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide has a molecular weight of 449.92 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 14868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).