3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H12F2N2O2 — CID 105403778

IUPAC3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12F2N2O2/c15-11-4-9(5-12(16)7-11)8-20-13-3-1-2-10(6-13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyYVEHUUJTZLFFFD-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 105403778) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID105403778
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12F2N2O2/c15-11-4-9(5-12(16)7-11)8-20-13-3-1-2-10(6-13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyYVEHUUJTZLFFFD-UHFFFAOYSA-N
XLogP2.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.64
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

3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 105403778) is 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cccc(OCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YVEHUUJTZLFFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-11-4-9(5-12(16)7-11)8-20-13-3-1-2-10(6-13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 278.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 105403778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).