3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide

C11H15ClN2O3 — CID 77015882

IUPAC3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
SMILESCOCC(C)Oc1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(6-16-2)17-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyWTGACDITUQTDPH-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.85
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide (PubChem CID 77015882) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
PubChem CID77015882
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
SMILESCOCC(C)Oc1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(6-16-2)17-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyWTGACDITUQTDPH-UHFFFAOYSA-N
XLogP1.85
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.85
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

3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76984278
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
3-chloro-N'-hydroxy-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106161712

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide (CID 77015882) is 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide is COCC(C)Oc1ccc(C(N)=NO)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
The InChIKey is WTGACDITUQTDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7(6-16-2)17-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide has a molecular weight of 258.70 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 77015882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).