N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide

C13H8Br2N2O4 — CID 102741517

IUPACN-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8Br2N2O4/c14-7-1-3-10(15)11(5-7)16-13(19)9-6-8(18)2-4-12(9)17(20)21/h1-6,18H,(H,16,19)
InChIKeyMASSEYYKNPGZSO-UHFFFAOYSA-N
MW416.03 g/mol
LogP4.08
Rot. Bonds3

About N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide

N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide (PubChem CID 102741517) has the molecular formula C13H8Br2N2O4 and a molecular weight of 416.03 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
PubChem CID102741517
Molecular FormulaC13H8Br2N2O4
Molecular Weight416.03 g/mol
Exact Mass413.89
IUPAC NameN-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H8Br2N2O4/c14-7-1-3-10(15)11(5-7)16-13(19)9-6-8(18)2-4-12(9)17(20)21/h1-6,18H,(H,16,19)
InChIKeyMASSEYYKNPGZSO-UHFFFAOYSA-N
XLogP4.08
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.03
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740891
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide (CID 102741517) is N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide is O=C(Nc1cc(Br)ccc1Br)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is MASSEYYKNPGZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O4/c14-7-1-3-10(15)11(5-7)16-13(19)9-6-8(18)2-4-12(9)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide?
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 416.03 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102741517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).