2-(2-fluoroanilino)-N'-hydroxybutanimidamide

C10H14FN3O — CID 77027269

IUPAC2-(2-fluoroanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccccc1F)C(N)=NO
InChIInChI=1S/C10H14FN3O/c1-2-8(10(12)14-15)13-9-6-4-3-5-7(9)11/h3-6,8,13,15H,2H2,1H3,(H2,12,14)
InChIKeyDIISHCGUBPSXBE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-fluoroanilino)-N'-hydroxybutanimidamide

2-(2-fluoroanilino)-N'-hydroxybutanimidamide (PubChem CID 77027269) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N'-hydroxybutanimidamide
PubChem CID77027269
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(2-fluoroanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccccc1F)C(N)=NO
InChIInChI=1S/C10H14FN3O/c1-2-8(10(12)14-15)13-9-6-4-3-5-7(9)11/h3-6,8,13,15H,2H2,1H3,(H2,12,14)
InChIKeyDIISHCGUBPSXBE-UHFFFAOYSA-N
XLogP1.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.76
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2-fluoroanilino)-N'-hydroxybutanimidamide (CID 77027269) is 2-(2-fluoroanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2-fluoroanilino)-N'-hydroxybutanimidamide is CCC(Nc1ccccc1F)C(N)=NO.
What is the InChIKey of 2-(2-fluoroanilino)-N'-hydroxybutanimidamide?
The InChIKey is DIISHCGUBPSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-8(10(12)14-15)13-9-6-4-3-5-7(9)11/h3-6,8,13,15H,2H2,1H3,(H2,12,14).
What are the key properties of 2-(2-fluoroanilino)-N'-hydroxybutanimidamide?
2-(2-fluoroanilino)-N'-hydroxybutanimidamide has a molecular weight of 211.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77027269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).