2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide

C17H16ClN3O2 — CID 76870629

IUPAC2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide
SMILESN#Cc1ccc(OCCON=C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-16-4-2-1-3-14(16)11-17(20)21-23-10-9-22-15-7-5-13(12-19)6-8-15/h1-8H,9-11H2,(H2,20,21)
InChIKeyBNKGDKGCOFDTEP-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide

2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide (PubChem CID 76870629) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide
PubChem CID76870629
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide
SMILESN#Cc1ccc(OCCON=C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-16-4-2-1-3-14(16)11-17(20)21-23-10-9-22-15-7-5-13(12-19)6-8-15/h1-8H,9-11H2,(H2,20,21)
InChIKeyBNKGDKGCOFDTEP-UHFFFAOYSA-N
XLogP3.12
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide?
The IUPAC name of 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide (CID 76870629) is 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide?
The canonical SMILES for 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide is N#Cc1ccc(OCCON=C(N)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide?
The InChIKey is BNKGDKGCOFDTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-16-4-2-1-3-14(16)11-17(20)21-23-10-9-22-15-7-5-13(12-19)6-8-15/h1-8H,9-11H2,(H2,20,21).
What are the key properties of 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide?
2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide has a molecular weight of 329.79 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide is sourced from PubChem (CID 76870629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).