2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H12ClFN2O2 — CID 77004510

IUPAC2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2ccc(F)cc2C(N)=NO)ccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-8-6-10(3-4-12(8)15)20-13-5-2-9(16)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyYNWHQJJNISMGGR-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004510) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004510
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2ccc(F)cc2C(N)=NO)ccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-8-6-10(3-4-12(8)15)20-13-5-2-9(16)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyYNWHQJJNISMGGR-UHFFFAOYSA-N
XLogP3.67
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.67
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-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004510) is 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cc(Oc2ccc(F)cc2C(N)=NO)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is YNWHQJJNISMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-8-6-10(3-4-12(8)15)20-13-5-2-9(16)7-11(13)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).