5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide

C15H14F2N2O2 — CID 77013703

IUPAC5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COCc1ccccc1F
InChIInChI=1S/C15H14F2N2O2/c16-12-6-5-10(13(7-12)15(18)19-20)8-21-9-11-3-1-2-4-14(11)17/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyWQVCGZIYACBZIS-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.78
Rot. Bonds5

About 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide

5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77013703) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77013703
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COCc1ccccc1F
InChIInChI=1S/C15H14F2N2O2/c16-12-6-5-10(13(7-12)15(18)19-20)8-21-9-11-3-1-2-4-14(11)17/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyWQVCGZIYACBZIS-UHFFFAOYSA-N
XLogP2.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.78
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

5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 103288550

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide (CID 77013703) is 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(F)ccc1COCc1ccccc1F.
What is the InChIKey of 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WQVCGZIYACBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-6-5-10(13(7-12)15(18)19-20)8-21-9-11-3-1-2-4-14(11)17/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide?
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77013703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).