2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H11ClN2O2 — CID 43199980

IUPAC2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(15)16-17/h1-8,17H,(H2,15,16)
InChIKeyIBCABFOMHIUFJZ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide

2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43199980) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43199980
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(15)16-17/h1-8,17H,(H2,15,16)
InChIKeyIBCABFOMHIUFJZ-UHFFFAOYSA-N
XLogP3.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.23
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'}

Analyze 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115492682
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76997856
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 43199980) is 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is IBCABFOMHIUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(15)16-17/h1-8,17H,(H2,15,16).
What are the key properties of 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide?
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 262.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43199980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).