3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

C14H11F3N2O2 — CID 107169391

IUPAC3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2c(F)cc(/C(N)=N/O)cc2F)cc1F
InChIInChI=1S/C14H11F3N2O2/c1-7-2-3-9(6-10(7)15)21-13-11(16)4-8(5-12(13)17)14(18)19-20/h2-6,20H,1H3,(H2,18,19)
InChIKeyPSHSVZPSOALXDT-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.30
Rot. Bonds3

About 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide

3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107169391) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107169391
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Oc2c(F)cc(/C(N)=N/O)cc2F)cc1F
InChIInChI=1S/C14H11F3N2O2/c1-7-2-3-9(6-10(7)15)21-13-11(16)4-8(5-12(13)17)14(18)19-20/h2-6,20H,1H3,(H2,18,19)
InChIKeyPSHSVZPSOALXDT-UHFFFAOYSA-N
XLogP3.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.30
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-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
3,5-difluoro-N'-hydroxy-4-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81287042
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 81285934
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 107169391) is 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1ccc(Oc2c(F)cc(/C(N)=N/O)cc2F)cc1F.
What is the InChIKey of 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is PSHSVZPSOALXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-2-3-9(6-10(7)15)21-13-11(16)4-8(5-12(13)17)14(18)19-20/h2-6,20H,1H3,(H2,18,19).
What are the key properties of 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 296.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107169391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).