4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide

C11H15ClN2O2 — CID 106819902

IUPAC4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O2/c1-15-6-5-14-11(13)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyXNEJXYHBDJCBDC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide

4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 106819902) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID106819902
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O2/c1-15-6-5-14-11(13)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyXNEJXYHBDJCBDC-UHFFFAOYSA-N
XLogP1.70
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide (CID 106819902) is 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\N)c1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is XNEJXYHBDJCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-15-6-5-14-11(13)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 242.71 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide is sourced from PubChem (CID 106819902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).