2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide

C12H11ClN2O2S — CID 76944983

IUPAC2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1OCc1cccs1
InChIInChI=1S/C12H11ClN2O2S/c13-9-4-1-5-10(11(9)12(14)15-16)17-7-8-3-2-6-18-8/h1-6,16H,7H2,(H2,14,15)
InChIKeyAIZVJHOLMLBCBP-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide (PubChem CID 76944983) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
PubChem CID76944983
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1OCc1cccs1
InChIInChI=1S/C12H11ClN2O2S/c13-9-4-1-5-10(11(9)12(14)15-16)17-7-8-3-2-6-18-8/h1-6,16H,7H2,(H2,14,15)
InChIKeyAIZVJHOLMLBCBP-UHFFFAOYSA-N
XLogP3.08
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.08
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-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-N'-hydroxy-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331982
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 135995700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide (CID 76944983) is 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide is NC(=NO)c1c(Cl)cccc1OCc1cccs1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is AIZVJHOLMLBCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-4-1-5-10(11(9)12(14)15-16)17-7-8-3-2-6-18-8/h1-6,16H,7H2,(H2,14,15).
What are the key properties of 2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 282.75 g/mol, XLogP of 3.08, 4 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-(thiophen-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 76944983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).