2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H12F2N2O2 — CID 107930131

IUPAC2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12F2N2O2/c1-8-2-4-12(10(6-8)14(17)18-19)20-13-5-3-9(15)7-11(13)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyYJJISXFXBSVUHQ-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.16
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930131) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930131
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c1
InChIInChI=1S/C14H12F2N2O2/c1-8-2-4-12(10(6-8)14(17)18-19)20-13-5-3-9(15)7-11(13)16/h2-7,19H,1H3,(H2,17,18)
InChIKeyYJJISXFXBSVUHQ-UHFFFAOYSA-N
XLogP3.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.16
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-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930131) is 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is YJJISXFXBSVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-2-4-12(10(6-8)14(17)18-19)20-13-5-3-9(15)7-11(13)16/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 278.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).