2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide

C15H16FN3O — CID 76923932

IUPAC2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1cccc(F)c1)c1ccccc1C(N)=NO
InChIInChI=1S/C15H16FN3O/c1-2-19(12-7-5-6-11(16)10-12)14-9-4-3-8-13(14)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18)
InChIKeyZWAHVULZJXVECB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.08
Rot. Bonds4

About 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide

2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 76923932) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID76923932
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1cccc(F)c1)c1ccccc1C(N)=NO
InChIInChI=1S/C15H16FN3O/c1-2-19(12-7-5-6-11(16)10-12)14-9-4-3-8-13(14)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18)
InChIKeyZWAHVULZJXVECB-UHFFFAOYSA-N
XLogP3.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide (CID 76923932) is 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide is CCN(c1cccc(F)c1)c1ccccc1C(N)=NO.
What is the InChIKey of 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZWAHVULZJXVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-19(12-7-5-6-11(16)10-12)14-9-4-3-8-13(14)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18).
What are the key properties of 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide?
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76923932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).