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

C13H9Cl2FN2O2 — CID 116689156

IUPAC4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2O2/c14-7-4-5-8(13(17)18-19)11(6-7)20-10-3-1-2-9(15)12(10)16/h1-6,19H,(H2,17,18)
InChIKeyFVIYDLWQVMRKRX-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.02
Rot. Bonds3

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

4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 116689156) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID116689156
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2O2/c14-7-4-5-8(13(17)18-19)11(6-7)20-10-3-1-2-9(15)12(10)16/h1-6,19H,(H2,17,18)
InChIKeyFVIYDLWQVMRKRX-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

4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 116689156) is 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1Oc1cccc(Cl)c1F.
What is the InChIKey of 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is FVIYDLWQVMRKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c14-7-4-5-8(13(17)18-19)11(6-7)20-10-3-1-2-9(15)12(10)16/h1-6,19H,(H2,17,18).
What are the key properties of 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(3-chloro-2-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 4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 116689156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).