3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide

C15H15FN2O2 — CID 24697134

IUPAC3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c16-14-8-12(15(17)18-19)6-7-13(14)10-20-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyZSSNDYCUTACLMQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.64
Rot. Bonds5

About 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide (PubChem CID 24697134) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide
PubChem CID24697134
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c16-14-8-12(15(17)18-19)6-7-13(14)10-20-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyZSSNDYCUTACLMQ-UHFFFAOYSA-N
XLogP2.64
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
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

4-(1,3-dioxolan-2-yl)-N'-hydroxybenzimidamide
CID 2819228
CID 5715446
CID 5715446
N'-hydroxy-4-(phenoxymethyl)benzene-1-carboximidamide
CID 24696197
4-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 9661090
N'-hydroxy-N-phenylmethoxybenzenecarboximidamide
CID 135083152
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 43165095
3-Fluoro-4-(hydroxymethyl)benzenecarboximidamide
CID 43165102
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzimidamide
CID 50941129
3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 58083443
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 74314834

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide (CID 24697134) is 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(COCc2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide?
The InChIKey is ZSSNDYCUTACLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-8-12(15(17)18-19)6-7-13(14)10-20-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24697134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).