2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H19FN2O2 — CID 55233502

IUPAC2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1OC1CCCCCC1
InChIInChI=1S/C14H19FN2O2/c15-10-7-8-13(12(9-10)14(16)17-18)19-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,16,17)
InChIKeyPLRKNEYYQXEPGR-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.02
Rot. Bonds3

About 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide

2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 55233502) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID55233502
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1OC1CCCCCC1
InChIInChI=1S/C14H19FN2O2/c15-10-7-8-13(12(9-10)14(16)17-18)19-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,16,17)
InChIKeyPLRKNEYYQXEPGR-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.02
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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Related Compounds

5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 77004550
4-chloro-2-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 76985015
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
CID 63705372
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
2-azido-1-cyclohexyloxy-4-fluorobenzene
CID 151647198

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 55233502) is 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1OC1CCCCCC1.
What is the InChIKey of 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PLRKNEYYQXEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-10-7-8-13(12(9-10)14(16)17-18)19-11-5-3-1-2-4-6-11/h7-9,11,18H,1-6H2,(H2,16,17).
What are the key properties of 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 266.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55233502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).