2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H13ClN2O2 — CID 107930089

IUPAC2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccccc2Cl)c(/C(N)=N/O)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-7-12(10(8-9)14(16)17-18)19-13-5-3-2-4-11(13)15/h2-8,18H,1H3,(H2,16,17)
InChIKeyGTSNSHGKMQDEFR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930089) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930089
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccccc2Cl)c(/C(N)=N/O)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-7-12(10(8-9)14(16)17-18)19-13-5-3-2-4-11(13)15/h2-8,18H,1H3,(H2,16,17)
InChIKeyGTSNSHGKMQDEFR-UHFFFAOYSA-N
XLogP3.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.54
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-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930089) is 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(Oc2ccccc2Cl)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is GTSNSHGKMQDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-6-7-12(10(8-9)14(16)17-18)19-13-5-3-2-4-11(13)15/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).