4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide

C13H9BrN2O5 — CID 107745262

IUPAC4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cc1O
InChIInChI=1S/C13H9BrN2O5/c14-7-1-3-9(11(17)5-7)13(19)15-10-4-2-8(16(20)21)6-12(10)18/h1-6,17-18H,(H,15,19)
InChIKeyYMIADMLMUIPPLP-UHFFFAOYSA-N
MW353.13 g/mol
LogP3.02
Rot. Bonds3

About 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide

4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 107745262) has the molecular formula C13H9BrN2O5 and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID107745262
Molecular FormulaC13H9BrN2O5
Molecular Weight353.13 g/mol
Exact Mass351.97
IUPAC Name4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cc1O
InChIInChI=1S/C13H9BrN2O5/c14-7-1-3-9(11(17)5-7)13(19)15-10-4-2-8(16(20)21)6-12(10)18/h1-6,17-18H,(H,15,19)
InChIKeyYMIADMLMUIPPLP-UHFFFAOYSA-N
XLogP3.02
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
2,4-dihydroxy-N-(2-hydroxy-4-nitrophenyl)benzenecarbothioamide
CID 135513869
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 107745262) is 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is YMIADMLMUIPPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O5/c14-7-1-3-9(11(17)5-7)13(19)15-10-4-2-8(16(20)21)6-12(10)18/h1-6,17-18H,(H,15,19).
What are the key properties of 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 353.13 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 107745262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).