2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide

C13H8Br3NO3 — CID 114343907

IUPAC2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cccc(O)c1O
InChIInChI=1S/C13H8Br3NO3/c14-6-4-8(15)11(9(16)5-6)17-13(20)7-2-1-3-10(18)12(7)19/h1-5,18-19H,(H,17,20)
InChIKeyQKRHMDRPZFDAIM-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.64
Rot. Bonds2

About 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide

2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 114343907) has the molecular formula C13H8Br3NO3 and a molecular weight of 465.92 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
PubChem CID114343907
Molecular FormulaC13H8Br3NO3
Molecular Weight465.92 g/mol
Exact Mass462.81
IUPAC Name2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cccc(O)c1O
InChIInChI=1S/C13H8Br3NO3/c14-6-4-8(15)11(9(16)5-6)17-13(20)7-2-1-3-10(18)12(7)19/h1-5,18-19H,(H,17,20)
InChIKeyQKRHMDRPZFDAIM-UHFFFAOYSA-N
XLogP4.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
CID 101287009
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
CID 43244596
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide (CID 114343907) is 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is QKRHMDRPZFDAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO3/c14-6-4-8(15)11(9(16)5-6)17-13(20)7-2-1-3-10(18)12(7)19/h1-5,18-19H,(H,17,20).
What are the key properties of 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide?
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide has a molecular weight of 465.92 g/mol, XLogP of 4.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 114343907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).