N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide

C13H9BrFNO3 — CID 114343963

IUPACN-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1cccc(O)c1O
InChIInChI=1S/C13H9BrFNO3/c14-7-4-5-9(15)10(6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)
InChIKeyVXGUALYAXMGXLR-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.25
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide

N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide (PubChem CID 114343963) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
PubChem CID114343963
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1cccc(O)c1O
InChIInChI=1S/C13H9BrFNO3/c14-7-4-5-9(15)10(6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)
InChIKeyVXGUALYAXMGXLR-UHFFFAOYSA-N
XLogP3.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.25
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

N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide (CID 114343963) is N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide is O=C(Nc1cc(Br)ccc1F)c1cccc(O)c1O.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide?
The InChIKey is VXGUALYAXMGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c14-7-4-5-9(15)10(6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide?
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide has a molecular weight of 326.12 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).