N-(3,5-dibromo-4-hydroxyphenyl)benzamide

C13H9Br2NO2 — CID 1184681

IUPACN-(3,5-dibromo-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
InChIKeyHKODPZBPODONGO-UHFFFAOYSA-N
MW371.03 g/mol
LogP4.17
Rot. Bonds2

About N-(3,5-dibromo-4-hydroxyphenyl)benzamide

N-(3,5-dibromo-4-hydroxyphenyl)benzamide (PubChem CID 1184681) has the molecular formula C13H9Br2NO2 and a molecular weight of 371.03 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)benzamide
PubChem CID1184681
Molecular FormulaC13H9Br2NO2
Molecular Weight371.03 g/mol
Exact Mass368.90
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
InChIKeyHKODPZBPODONGO-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)benzamide (CID 1184681) is N-(3,5-dibromo-4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)benzamide is O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
The InChIKey is HKODPZBPODONGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)benzamide?
N-(3,5-dibromo-4-hydroxyphenyl)benzamide has a molecular weight of 371.03 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 1184681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).