4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide

C13H7BrF3NO2 — CID 62813902

IUPAC4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1O
InChIInChI=1S/C13H7BrF3NO2/c14-6-1-2-8(11(19)3-6)13(20)18-10-5-7(15)4-9(16)12(10)17/h1-5,19H,(H,18,20)
InChIKeyNISNJLHPWWXGOR-UHFFFAOYSA-N
MW346.10 g/mol
LogP3.82
Rot. Bonds2

About 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide

4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide (PubChem CID 62813902) has the molecular formula C13H7BrF3NO2 and a molecular weight of 346.10 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
PubChem CID62813902
Molecular FormulaC13H7BrF3NO2
Molecular Weight346.10 g/mol
Exact Mass344.96
IUPAC Name4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1O
InChIInChI=1S/C13H7BrF3NO2/c14-6-1-2-8(11(19)3-6)13(20)18-10-5-7(15)4-9(16)12(10)17/h1-5,19H,(H,18,20)
InChIKeyNISNJLHPWWXGOR-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 53.82
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

4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
2-hydroxy-4-methoxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813403
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
2-bromo-5-sulfanyl-N-(2,3,5-trifluorophenyl)benzamide
CID 107028638
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
CID 63405092
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide (CID 62813902) is 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide?
The InChIKey is NISNJLHPWWXGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO2/c14-6-1-2-8(11(19)3-6)13(20)18-10-5-7(15)4-9(16)12(10)17/h1-5,19H,(H,18,20).
What are the key properties of 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide?
4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide has a molecular weight of 346.10 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62813902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).