5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide

C13H7Br2F2NO2 — CID 107729675

IUPAC5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1O
InChIInChI=1S/C13H7Br2F2NO2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-9(16)8(15)4-10(11)17/h1-5,19H,(H,18,20)
InChIKeyLUPHOOOWFQORKL-UHFFFAOYSA-N
MW407.01 g/mol
LogP4.45
Rot. Bonds2

About 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide

5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide (PubChem CID 107729675) has the molecular formula C13H7Br2F2NO2 and a molecular weight of 407.01 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
PubChem CID107729675
Molecular FormulaC13H7Br2F2NO2
Molecular Weight407.01 g/mol
Exact Mass404.88
IUPAC Name5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1O
InChIInChI=1S/C13H7Br2F2NO2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-9(16)8(15)4-10(11)17/h1-5,19H,(H,18,20)
InChIKeyLUPHOOOWFQORKL-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.01
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide (CID 107729675) is 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide is O=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide?
The InChIKey is LUPHOOOWFQORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2NO2/c14-6-1-2-12(19)7(3-6)13(20)18-11-5-9(16)8(15)4-10(11)17/h1-5,19H,(H,18,20).
What are the key properties of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide?
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide has a molecular weight of 407.01 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107729675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).