2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9Cl2FN2O2 — CID 82717050

IUPAC2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c14-10-4-2-8(6-12(10)16)20-7-1-3-9(11(15)5-7)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyWDXOWBPBLLJMFY-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 82717050) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID82717050
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c14-10-4-2-8(6-12(10)16)20-7-1-3-9(11(15)5-7)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyWDXOWBPBLLJMFY-UHFFFAOYSA-N
XLogP4.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.02
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-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
CID 102722285
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 82717050) is 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is WDXOWBPBLLJMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c14-10-4-2-8(6-12(10)16)20-7-1-3-9(11(15)5-7)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 315.13 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82717050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).