4-[(4-chlorophenoxy)methyl]benzenecarboximidamide

C14H13ClN2O — CID 24703802

IUPAC4-[(4-chlorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H3,16,17)
InChIKeyAIHOQFFRTZKUNW-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.20
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide

4-[(4-chlorophenoxy)methyl]benzenecarboximidamide (PubChem CID 24703802) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]benzenecarboximidamide
PubChem CID24703802
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-[(4-chlorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H3,16,17)
InChIKeyAIHOQFFRTZKUNW-UHFFFAOYSA-N
XLogP3.20
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide (CID 24703802) is 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide?
The InChIKey is AIHOQFFRTZKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H3,16,17).
What are the key properties of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide?
4-[(4-chlorophenoxy)methyl]benzenecarboximidamide has a molecular weight of 260.72 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24703802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).