5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

C14H12Cl2N2O2 — CID 76953392

IUPAC5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(Cl)cc2C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-2-4-13(11(16)6-8)20-12-5-3-9(15)7-10(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyJQAMGQGZEOXFRA-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.19
Rot. Bonds3

About 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76953392) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76953392
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(Cl)cc2C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-2-4-13(11(16)6-8)20-12-5-3-9(15)7-10(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyJQAMGQGZEOXFRA-UHFFFAOYSA-N
XLogP4.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.19
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-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76997856
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 76953392) is 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1ccc(Oc2ccc(Cl)cc2C(N)=NO)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is JQAMGQGZEOXFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-2-4-13(11(16)6-8)20-12-5-3-9(15)7-10(12)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 311.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76953392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).