2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide

C16H25F2N3O — CID 155550710

IUPAC2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide
SMILESCCCCCCCCCNc1ccc(F)c(/C(N)=N/O)c1F
InChIInChI=1S/C16H25F2N3O/c1-2-3-4-5-6-7-8-11-20-13-10-9-12(17)14(15(13)18)16(19)21-22/h9-10,20,22H,2-8,11H2,1H3,(H2,19,21)
InChIKeyUTKAPPLLIZPMRP-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.22
Rot. Bonds10

About 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide

2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide (PubChem CID 155550710) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide
PubChem CID155550710
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide
SMILESCCCCCCCCCNc1ccc(F)c(/C(N)=N/O)c1F
InChIInChI=1S/C16H25F2N3O/c1-2-3-4-5-6-7-8-11-20-13-10-9-12(17)14(15(13)18)16(19)21-22/h9-10,20,22H,2-8,11H2,1H3,(H2,19,21)
InChIKeyUTKAPPLLIZPMRP-UHFFFAOYSA-N
XLogP4.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide?
The IUPAC name of 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide (CID 155550710) is 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide.
What is the SMILES notation for 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide?
The canonical SMILES for 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide is CCCCCCCCCNc1ccc(F)c(/C(N)=N/O)c1F.
What is the InChIKey of 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide?
The InChIKey is UTKAPPLLIZPMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-2-3-4-5-6-7-8-11-20-13-10-9-12(17)14(15(13)18)16(19)21-22/h9-10,20,22H,2-8,11H2,1H3,(H2,19,21).
What are the key properties of 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide?
2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide has a molecular weight of 313.39 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-hydroxy-3-(nonylamino)benzenecarboximidamide is sourced from PubChem (CID 155550710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).