2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C15H14F2N2O2 — CID 107117672

IUPAC2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(F)c(OCc2cccc(/C(N)=N/O)c2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-5-6-12(16)13(7-9)21-8-10-3-2-4-11(14(10)17)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyXFAJZYCLVDSSPV-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.95
Rot. Bonds4

About 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107117672) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107117672
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(F)c(OCc2cccc(/C(N)=N/O)c2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-5-6-12(16)13(7-9)21-8-10-3-2-4-11(14(10)17)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyXFAJZYCLVDSSPV-UHFFFAOYSA-N
XLogP2.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.95
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-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
3-[(2-chloro-5-methylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116075
2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 107117672) is 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is Cc1ccc(F)c(OCc2cccc(/C(N)=N/O)c2F)c1.
What is the InChIKey of 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XFAJZYCLVDSSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-5-6-12(16)13(7-9)21-8-10-3-2-4-11(14(10)17)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19).
What are the key properties of 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107117672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).