N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide

C13H9Br2FN2O2 — CID 107013162

IUPACN-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide
SMILESNc1cc(Br)c(NC(=O)c2ccc(F)cc2O)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O2/c14-9-4-7(17)5-10(15)12(9)18-13(20)8-2-1-6(16)3-11(8)19/h1-5,19H,17H2,(H,18,20)
InChIKeyHZVOHJMISFVDKI-UHFFFAOYSA-N
MW404.03 g/mol
LogP3.89
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide

N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 107013162) has the molecular formula C13H9Br2FN2O2 and a molecular weight of 404.03 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide
PubChem CID107013162
Molecular FormulaC13H9Br2FN2O2
Molecular Weight404.03 g/mol
Exact Mass401.90
IUPAC NameN-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide
SMILESNc1cc(Br)c(NC(=O)c2ccc(F)cc2O)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O2/c14-9-4-7(17)5-10(15)12(9)18-13(20)8-2-1-6(16)3-11(8)19/h1-5,19H,17H2,(H,18,20)
InChIKeyHZVOHJMISFVDKI-UHFFFAOYSA-N
XLogP3.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
N-(4-bromo-3-methoxyphenyl)-4-fluoro-2-hydroxybenzamide
CID 103830086
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(5-amino-2-bromophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298391
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide (CID 107013162) is N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide is Nc1cc(Br)c(NC(=O)c2ccc(F)cc2O)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is HZVOHJMISFVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O2/c14-9-4-7(17)5-10(15)12(9)18-13(20)8-2-1-6(16)3-11(8)19/h1-5,19H,17H2,(H,18,20).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide?
N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 404.03 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107013162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).