4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide

C13H11ClN2O — CID 3814736

IUPAC4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide
SMILESON/C(=N\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(16-17)15-12-4-2-1-3-5-12/h1-9,17H,(H,15,16)
InChIKeyFXLBBBVRAIJTQR-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide

4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide (PubChem CID 3814736) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide
PubChem CID3814736
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide
SMILESON/C(=N\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(16-17)15-12-4-2-1-3-5-12/h1-9,17H,(H,15,16)
InChIKeyFXLBBBVRAIJTQR-UHFFFAOYSA-N
XLogP3.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.40
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide (CID 3814736) is 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide is ON/C(=N\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide?
The InChIKey is FXLBBBVRAIJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(16-17)15-12-4-2-1-3-5-12/h1-9,17H,(H,15,16).
What are the key properties of 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide?
4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide has a molecular weight of 246.70 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hydroxy-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 3814736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).