2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9Cl3N2O2 — CID 76999537

IUPAC2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-7-4-8(15)6-9(5-7)20-11-3-1-2-10(16)12(11)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyLLXNYBCGGCJBMO-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.53
Rot. Bonds3

About 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76999537) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76999537
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-7-4-8(15)6-9(5-7)20-11-3-1-2-10(16)12(11)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyLLXNYBCGGCJBMO-UHFFFAOYSA-N
XLogP4.53
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
CID 76945186
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
2-bromo-6-(3,5-dichlorophenoxy)benzenecarbothioamide
CID 114882916
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 76999537) is 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is LLXNYBCGGCJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-7-4-8(15)6-9(5-7)20-11-3-1-2-10(16)12(11)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.59 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76999537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).