5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide

C13H10BrN3O4 — CID 114892757

IUPAC5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O4/c14-8-4-5-12(11(6-8)13(15)16-18)21-10-3-1-2-9(7-10)17(19)20/h1-7,18H,(H2,15,16)
InChIKeyLITZDPVHESSYNF-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.24
Rot. Bonds4

About 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide

5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide (PubChem CID 114892757) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
PubChem CID114892757
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O4/c14-8-4-5-12(11(6-8)13(15)16-18)21-10-3-1-2-9(7-10)17(19)20/h1-7,18H,(H2,15,16)
InChIKeyLITZDPVHESSYNF-UHFFFAOYSA-N
XLogP3.24
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
N'-hydroxy-2-methyl-4-(3-nitrophenoxy)benzenecarboximidamide
CID 81272991
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
CID 58710220
5-bromo-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 104629583
4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide (CID 114892757) is 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide?
The InChIKey is LITZDPVHESSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c14-8-4-5-12(11(6-8)13(15)16-18)21-10-3-1-2-9(7-10)17(19)20/h1-7,18H,(H2,15,16).
What are the key properties of 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide?
5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide has a molecular weight of 352.14 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 114892757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).