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

C13H8BrFN2O4 — CID 60954645

IUPAC2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(F)cc1Br
InChIInChI=1S/C13H8BrFN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19)
InChIKeyYBBCWPVGAGAHDT-UHFFFAOYSA-N
MW355.12 g/mol
LogP3.45
Rot. Bonds3

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

2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide (PubChem CID 60954645) has the molecular formula C13H8BrFN2O4 and a molecular weight of 355.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
PubChem CID60954645
Molecular FormulaC13H8BrFN2O4
Molecular Weight355.12 g/mol
Exact Mass353.97
IUPAC Name2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(F)cc1Br
InChIInChI=1S/C13H8BrFN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19)
InChIKeyYBBCWPVGAGAHDT-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': 'hydroquinone', '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-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide (CID 60954645) is 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The InChIKey is YBBCWPVGAGAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
2-bromo-4-fluoro-N-(4-hydroxy-2-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 2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 60954645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).