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

C13H9BrN2O4 — CID 60954513

IUPAC4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN2O4/c14-9-3-1-8(2-4-9)13(18)15-11-6-5-10(17)7-12(11)16(19)20/h1-7,17H,(H,15,18)
InChIKeyGEUBASPULCRLHG-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.32
Rot. Bonds3

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

4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide (PubChem CID 60954513) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
PubChem CID60954513
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN2O4/c14-9-3-1-8(2-4-9)13(18)15-11-6-5-10(17)7-12(11)16(19)20/h1-7,17H,(H,15,18)
InChIKeyGEUBASPULCRLHG-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': '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

4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
CID 61041536
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61259784
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide (CID 60954513) is 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide?
The InChIKey is GEUBASPULCRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-9-3-1-8(2-4-9)13(18)15-11-6-5-10(17)7-12(11)16(19)20/h1-7,17H,(H,15,18).
What are the key properties of 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide?
4-bromo-N-(4-hydroxy-2-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 4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 60954513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).