4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide

C15H19ClN2O2 — CID 102724411

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-14-7-12(3-4-13(14)15(17)18-19)20-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8H2,(H2,17,18)
InChIKeyJSLQXNWWFGKKSH-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.25
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide

4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 102724411) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID102724411
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-14-7-12(3-4-13(14)15(17)18-19)20-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8H2,(H2,17,18)
InChIKeyJSLQXNWWFGKKSH-UHFFFAOYSA-N
XLogP3.25
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.25
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-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
CID 106500780
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide (CID 102724411) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCC2CC3CCC2C3)cc1Cl.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JSLQXNWWFGKKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-14-7-12(3-4-13(14)15(17)18-19)20-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8H2,(H2,17,18).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102724411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).