4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide

C11H16ClN3O2 — CID 76985005

IUPAC4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
SMILESCOCCN(C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C11H16ClN3O2/c1-15(5-6-17-2)10-7-8(12)3-4-9(10)11(13)14-16/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyHVPGYIAORYXYLD-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.52
Rot. Bonds5

About 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide (PubChem CID 76985005) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
PubChem CID76985005
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
SMILESCOCCN(C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C11H16ClN3O2/c1-15(5-6-17-2)10-7-8(12)3-4-9(10)11(13)14-16/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14)
InChIKeyHVPGYIAORYXYLD-UHFFFAOYSA-N
XLogP1.52
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.52
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

4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76985058
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
4-chloro-2-[1-(dimethylamino)propan-2-yl-ethylamino]-N'-hydroxybenzenecarboximidamide
CID 103189143

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide (CID 76985005) is 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide is COCCN(C)c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide?
The InChIKey is HVPGYIAORYXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15(5-6-17-2)10-7-8(12)3-4-9(10)11(13)14-16/h3-4,7,16H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide has a molecular weight of 257.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76985005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).