2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide

C16H18FN3O — CID 79516142

IUPAC2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1C)c1cccc(F)c1C(N)=NO
InChIInChI=1S/C16H18FN3O/c1-3-20(13-9-5-4-7-11(13)2)14-10-6-8-12(17)15(14)16(18)19-21/h4-10,21H,3H2,1-2H3,(H2,18,19)
InChIKeyOSZBOTQIBAEBMP-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.39
Rot. Bonds4

About 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79516142) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79516142
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1C)c1cccc(F)c1C(N)=NO
InChIInChI=1S/C16H18FN3O/c1-3-20(13-9-5-4-7-11(13)2)14-10-6-8-12(17)15(14)16(18)19-21/h4-10,21H,3H2,1-2H3,(H2,18,19)
InChIKeyOSZBOTQIBAEBMP-UHFFFAOYSA-N
XLogP3.39
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.39
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-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79516142) is 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide is CCN(c1ccccc1C)c1cccc(F)c1C(N)=NO.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is OSZBOTQIBAEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-20(13-9-5-4-7-11(13)2)14-10-6-8-12(17)15(14)16(18)19-21/h4-10,21H,3H2,1-2H3,(H2,18,19).
What are the key properties of 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 287.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79516142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).