2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

C14H13FN2O2 — CID 76939029

IUPAC2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O2/c1-9-2-7-12(14(16)17-18)13(8-9)19-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyGEMBYDDETOQTFW-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76939029) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76939029
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O2/c1-9-2-7-12(14(16)17-18)13(8-9)19-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyGEMBYDDETOQTFW-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.02
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

N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76939029) is 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is GEMBYDDETOQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-2-7-12(14(16)17-18)13(8-9)19-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 260.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76939029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).