2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide

C14H13ClN2O3 — CID 76981571

IUPAC2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccccc1Oc1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyZQEXQSYDOSWMEL-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide (PubChem CID 76981571) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
PubChem CID76981571
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
SMILESCOc1ccccc1Oc1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyZQEXQSYDOSWMEL-UHFFFAOYSA-N
XLogP3.24
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide (CID 76981571) is 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide is COc1ccccc1Oc1ccc(C(N)=NO)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is ZQEXQSYDOSWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 292.72 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 76981571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).