3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide

C13H9BrN2O4 — CID 107681117

IUPAC3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(Br)c1
InChIInChI=1S/C13H9BrN2O4/c14-9-4-1-3-8(7-9)13(18)15-12-10(16(19)20)5-2-6-11(12)17/h1-7,17H,(H,15,18)
InChIKeyFNHJSKQLXIPQJV-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.32
Rot. Bonds3

About 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide

3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide (PubChem CID 107681117) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
PubChem CID107681117
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(Br)c1
InChIInChI=1S/C13H9BrN2O4/c14-9-4-1-3-8(7-9)13(18)15-12-10(16(19)20)5-2-6-11(12)17/h1-7,17H,(H,15,18)
InChIKeyFNHJSKQLXIPQJV-UHFFFAOYSA-N
XLogP3.32
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
CID 2940333
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide (CID 107681117) is 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The InChIKey is FNHJSKQLXIPQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-9-4-1-3-8(7-9)13(18)15-12-10(16(19)20)5-2-6-11(12)17/h1-7,17H,(H,15,18).
What are the key properties of 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide has a molecular weight of 337.13 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide is sourced from PubChem (CID 107681117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).