N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide

C13H13N3O — CID 13074508

IUPACN'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide
SMILESNc1ccccc1/N=C(\NO)c1ccccc1
InChIInChI=1S/C13H13N3O/c14-11-8-4-5-9-12(11)15-13(16-17)10-6-2-1-3-7-10/h1-9,17H,14H2,(H,15,16)
InChIKeyLBAWNEHWRLUIEB-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds2

About N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide

N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide (PubChem CID 13074508) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide
PubChem CID13074508
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide
SMILESNc1ccccc1/N=C(\NO)c1ccccc1
InChIInChI=1S/C13H13N3O/c14-11-8-4-5-9-12(11)15-13(16-17)10-6-2-1-3-7-10/h1-9,17H,14H2,(H,15,16)
InChIKeyLBAWNEHWRLUIEB-UHFFFAOYSA-N
XLogP2.33
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
CID 3813981
3-(2-aminophenyl)iminobutanoic acid
CID 54185371
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
CID 21144076
CID 21144076
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
N'-(2-aminophenyl)-4-[2-(trimethyl-λ4-sulfanyl)ethynyl]benzenecarboximidamide
CID 67559657
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
N-[[(hydroxyamino)-phenylmethylidene]carbamothioyl]-2,2-dimethylpropanamide
CID 27060178
2-[[[3-(4-chlorophenyl)quinoxalin-2-yl]-phenylmethylidene]amino]aniline
CID 102512409
N-hydroxy-N'-(2-methylphenyl)-3-nitrobenzenecarboximidamide
CID 4121047
N'-[(E)-benzylideneamino]-N-hydroxybenzenecarboximidamide
CID 54606152
N'-(cyanomethyl)-N-hydroxybenzenecarboximidamide
CID 130740122

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide (CID 13074508) is N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide is Nc1ccccc1/N=C(\NO)c1ccccc1.
What is the InChIKey of N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide?
The InChIKey is LBAWNEHWRLUIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-11-8-4-5-9-12(11)15-13(16-17)10-6-2-1-3-7-10/h1-9,17H,14H2,(H,15,16).
What are the key properties of N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide?
N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide has a molecular weight of 227.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminophenyl)-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 13074508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).