N'-hydroxy-4-phenylbenzenecarboximidamide

C13H12N2O — CID 4625850

IUPACN'-hydroxy-4-phenylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,16H,(H2,14,15)
InChIKeyWVKAHHBQPICMQP-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.45
Rot. Bonds2

About N'-hydroxy-4-phenylbenzenecarboximidamide

N'-hydroxy-4-phenylbenzenecarboximidamide (PubChem CID 4625850) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-hydroxy-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-phenylbenzenecarboximidamide
PubChem CID4625850
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN'-hydroxy-4-phenylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,16H,(H2,14,15)
InChIKeyWVKAHHBQPICMQP-UHFFFAOYSA-N
XLogP2.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-4-phenylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-phenylbenzenecarboximidamide (CID 4625850) is N'-hydroxy-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-phenylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-phenylbenzenecarboximidamide is NC(=NO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-4-phenylbenzenecarboximidamide?
The InChIKey is WVKAHHBQPICMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(15-16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,16H,(H2,14,15).
What are the key properties of N'-hydroxy-4-phenylbenzenecarboximidamide?
N'-hydroxy-4-phenylbenzenecarboximidamide has a molecular weight of 212.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 4625850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).