3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

C13H8BrFN2O4 — CID 106548159

IUPAC3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrFN2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19)
InChIKeyWOBMICDUGVTIKN-UHFFFAOYSA-N
MW355.12 g/mol
LogP3.45
Rot. Bonds3

About 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 106548159) has the molecular formula C13H8BrFN2O4 and a molecular weight of 355.12 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID106548159
Molecular FormulaC13H8BrFN2O4
Molecular Weight355.12 g/mol
Exact Mass353.97
IUPAC Name3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrFN2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19)
InChIKeyWOBMICDUGVTIKN-UHFFFAOYSA-N
XLogP3.45
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 53.45
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

2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
CID 103741282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 106548159) is 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is WOBMICDUGVTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19).
What are the key properties of 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 355.12 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 106548159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).