N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide

C13H10Cl2N2O — CID 3813981

IUPACN'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-11(15)8-12(7-10)16-13(17-18)9-4-2-1-3-5-9/h1-8,18H,(H,16,17)
InChIKeyTYJJIPLMAWAJRR-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.05
Rot. Bonds2

About N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide

N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide (PubChem CID 3813981) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
PubChem CID3813981
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC NameN'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-11(15)8-12(7-10)16-13(17-18)9-4-2-1-3-5-9/h1-8,18H,(H,16,17)
InChIKeyTYJJIPLMAWAJRR-UHFFFAOYSA-N
XLogP4.05
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.05
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'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide (CID 3813981) is N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide is ON/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide?
The InChIKey is TYJJIPLMAWAJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-6-11(15)8-12(7-10)16-13(17-18)9-4-2-1-3-5-9/h1-8,18H,(H,16,17).
What are the key properties of N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide?
N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide has a molecular weight of 281.14 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 3813981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).