2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide

C12H15ClN2O3 — CID 76945209

IUPAC2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C12H15ClN2O3/c13-9-2-1-3-10(11(9)12(14)15-16)18-8-4-6-17-7-5-8/h1-3,8,16H,4-7H2,(H2,14,15)
InChIKeyQOBOYTXXMAEIFV-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide (PubChem CID 76945209) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
PubChem CID76945209
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C12H15ClN2O3/c13-9-2-1-3-10(11(9)12(14)15-16)18-8-4-6-17-7-5-8/h1-3,8,16H,4-7H2,(H2,14,15)
InChIKeyQOBOYTXXMAEIFV-UHFFFAOYSA-N
XLogP1.99
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

2-chloro-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 55213919
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 114883519
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 113276658
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
2-chloro-6-piperidin-4-yloxybenzamide
CID 62497560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide (CID 76945209) is 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide is NC(=NO)c1c(Cl)cccc1OC1CCOCC1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide?
The InChIKey is QOBOYTXXMAEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-9-2-1-3-10(11(9)12(14)15-16)18-8-4-6-17-7-5-8/h1-3,8,16H,4-7H2,(H2,14,15).
What are the key properties of 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide has a molecular weight of 270.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide is sourced from PubChem (CID 76945209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).