5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide

C15H24FN3O — CID 77004426

IUPAC5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCCCCCN(c1ccc(F)cc1C(N)=NO)C(C)C
InChIInChI=1S/C15H24FN3O/c1-4-5-6-9-19(11(2)3)14-8-7-12(16)10-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyWMWWOSXHDMVXPZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.33
Rot. Bonds7

About 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 77004426) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID77004426
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCCCCCN(c1ccc(F)cc1C(N)=NO)C(C)C
InChIInChI=1S/C15H24FN3O/c1-4-5-6-9-19(11(2)3)14-8-7-12(16)10-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyWMWWOSXHDMVXPZ-UHFFFAOYSA-N
XLogP3.33
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
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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Related Compounds

5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
5-fluoro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490936
2-[ethyl(2-methylpropyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004495
2-[butan-2-yl(butyl)amino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76997736
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[3-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitrobenzenecarboximidamide
CID 76935068
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
5-chloro-2-[pentyl(propan-2-yl)amino]benzenecarbothioamide
CID 55225001
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide (CID 77004426) is 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide is CCCCCN(c1ccc(F)cc1C(N)=NO)C(C)C.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is WMWWOSXHDMVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-5-6-9-19(11(2)3)14-8-7-12(16)10-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 281.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 77004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).