3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide

C15H24FN3O2 — CID 106115552

IUPAC3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
SMILESCCCC(CCO)CNCc1cc(F)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H24FN3O2/c1-2-3-11(4-5-20)9-18-10-12-6-13(15(17)19-21)8-14(16)7-12/h6-8,11,18,20-21H,2-5,9-10H2,1H3,(H2,17,19)
InChIKeyQBVULIDTQCFOSV-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.81
Rot. Bonds9

About 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide (PubChem CID 106115552) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
PubChem CID106115552
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
SMILESCCCC(CCO)CNCc1cc(F)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H24FN3O2/c1-2-3-11(4-5-20)9-18-10-12-6-13(15(17)19-21)8-14(16)7-12/h6-8,11,18,20-21H,2-5,9-10H2,1H3,(H2,17,19)
InChIKeyQBVULIDTQCFOSV-UHFFFAOYSA-N
XLogP1.81
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
3-fluoro-N'-hydroxy-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzenecarboximidamide
CID 106350262
3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
CID 106177135
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
N'-hydroxy-4-[(2-hydroxypentylamino)methyl]benzenecarboximidamide
CID 113495841
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
3-fluoro-N'-hydroxy-5-[(2-prop-2-ynylsulfanylethylamino)methyl]benzenecarboximidamide
CID 106429150
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide (CID 106115552) is 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide is CCCC(CCO)CNCc1cc(F)cc(/C(N)=N/O)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide?
The InChIKey is QBVULIDTQCFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-2-3-11(4-5-20)9-18-10-12-6-13(15(17)19-21)8-14(16)7-12/h6-8,11,18,20-21H,2-5,9-10H2,1H3,(H2,17,19).
What are the key properties of 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide has a molecular weight of 297.37 g/mol, XLogP of 1.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106115552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).