N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide

C13H11ClN2O — CID 5100198

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

About N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide

N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide (PubChem CID 5100198) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide
PubChem CID5100198
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-11-6-8-12(9-7-11)15-13(16-17)10-4-2-1-3-5-10/h1-9,17H,(H,15,16)
InChIKeyKJQNTRAJCGCQSE-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 N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide (CID 5100198) is N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide is ON/C(=N\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide?
The InChIKey is KJQNTRAJCGCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-6-8-12(9-7-11)15-13(16-17)10-4-2-1-3-5-10/h1-9,17H,(H,15,16).
What are the key properties of N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide?
N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide 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 N'-(4-chlorophenyl)-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 5100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).