N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide

C13H10ClN3O3 — CID 3780203

IUPACN'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide
SMILESO=[N+]([O-])c1cccc(/C(=N/c2cccc(Cl)c2)NO)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-4-2-5-11(8-10)15-13(16-18)9-3-1-6-12(7-9)17(19)20/h1-8,18H,(H,15,16)
InChIKeyLOPJUGLPZHUWHL-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.31
Rot. Bonds3

About N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide

N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 3780203) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID3780203
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide
SMILESO=[N+]([O-])c1cccc(/C(=N/c2cccc(Cl)c2)NO)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-4-2-5-11(8-10)15-13(16-18)9-3-1-6-12(7-9)17(19)20/h1-8,18H,(H,15,16)
InChIKeyLOPJUGLPZHUWHL-UHFFFAOYSA-N
XLogP3.31
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide (CID 3780203) is N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide is O=[N+]([O-])c1cccc(/C(=N/c2cccc(Cl)c2)NO)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is LOPJUGLPZHUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-4-2-5-11(8-10)15-13(16-18)9-3-1-6-12(7-9)17(19)20/h1-8,18H,(H,15,16).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide?
N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 291.69 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 3780203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).