N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide

C13H9BrFNO3 — CID 103955653

IUPACN-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9BrFNO3/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19)
InChIKeyUWSXYLGLORWUMJ-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.25
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide

N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide (PubChem CID 103955653) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
PubChem CID103955653
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9BrFNO3/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19)
InChIKeyUWSXYLGLORWUMJ-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

4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide (CID 103955653) is N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide is O=C(Nc1cc(Br)ccc1F)c1ccc(O)c(O)c1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide?
The InChIKey is UWSXYLGLORWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19).
What are the key properties of N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide?
N-(5-bromo-2-fluorophenyl)-3,4-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)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103955653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).