5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide

C13H7BrCl3NO2 — CID 107729693

IUPAC5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C13H7BrCl3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-12-9(16)4-7(15)5-10(12)17/h1-5,19H,(H,18,20)
InChIKeyQKRWUVBXRPVCRY-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.37
Rot. Bonds2

About 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide

5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 107729693) has the molecular formula C13H7BrCl3NO2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID107729693
Molecular FormulaC13H7BrCl3NO2
Molecular Weight395.47 g/mol
Exact Mass392.87
IUPAC Name5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C13H7BrCl3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-12-9(16)4-7(15)5-10(12)17/h1-5,19H,(H,18,20)
InChIKeyQKRWUVBXRPVCRY-UHFFFAOYSA-N
XLogP5.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide (CID 107729693) is 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is QKRWUVBXRPVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-12-9(16)4-7(15)5-10(12)17/h1-5,19H,(H,18,20).
What are the key properties of 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide?
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 395.47 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 107729693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).