N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide

C14H12FIN2O — CID 88887063

IUPACN'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide
SMILESN/C(=N\OC(I)c1ccccc1F)c1ccccc1
InChIInChI=1S/C14H12FIN2O/c15-12-9-5-4-8-11(12)13(16)19-18-14(17)10-6-2-1-3-7-10/h1-9,13H,(H2,17,18)
InChIKeyRNFUFFFMBJGLOQ-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.60
Rot. Bonds4

About N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide

N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide (PubChem CID 88887063) has the molecular formula C14H12FIN2O and a molecular weight of 370.17 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide
PubChem CID88887063
Molecular FormulaC14H12FIN2O
Molecular Weight370.17 g/mol
Exact Mass370.00
IUPAC NameN'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide
SMILESN/C(=N\OC(I)c1ccccc1F)c1ccccc1
InChIInChI=1S/C14H12FIN2O/c15-12-9-5-4-8-11(12)13(16)19-18-14(17)10-6-2-1-3-7-10/h1-9,13H,(H2,17,18)
InChIKeyRNFUFFFMBJGLOQ-UHFFFAOYSA-N
XLogP3.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide?
The IUPAC name of N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide (CID 88887063) is N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide?
The canonical SMILES for N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide is N/C(=N\OC(I)c1ccccc1F)c1ccccc1.
What is the InChIKey of N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide?
The InChIKey is RNFUFFFMBJGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O/c15-12-9-5-4-8-11(12)13(16)19-18-14(17)10-6-2-1-3-7-10/h1-9,13H,(H2,17,18).
What are the key properties of N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide?
N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide has a molecular weight of 370.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide is sourced from PubChem (CID 88887063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).