3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

C15H15FN2O3 — CID 43658276

IUPAC3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILESCOc1cc(C)ccc1Oc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H15FN2O3/c1-9-3-5-13(14(7-9)20-2)21-12-6-4-10(8-11(12)16)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyBDDDPNDKNBPJFH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (PubChem CID 43658276) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
PubChem CID43658276
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILESCOc1cc(C)ccc1Oc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H15FN2O3/c1-9-3-5-13(14(7-9)20-2)21-12-6-4-10(8-11(12)16)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18)
InChIKeyBDDDPNDKNBPJFH-UHFFFAOYSA-N
XLogP3.03
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-fluoro-4-(2-methoxy-4-methylphenoxy)benzoic acid
CID 28604637
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 43658038
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
3-fluoro-N'-hydroxy-4-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 76931137
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712561
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (CID 43658276) is 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is COc1cc(C)ccc1Oc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The InChIKey is BDDDPNDKNBPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-3-5-13(14(7-9)20-2)21-12-6-4-10(8-11(12)16)15(17)18-19/h3-8,19H,1-2H3,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide has a molecular weight of 290.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 43658276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).