4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride

C14H14Cl2N2O — CID 82253553

IUPAC4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O.ClH/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);1H
InChIKeyZGNLMMYHWDEALI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.62
Rot. Bonds4

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

4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride (PubChem CID 82253553) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride
PubChem CID82253553
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O.ClH/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);1H
InChIKeyZGNLMMYHWDEALI-UHFFFAOYSA-N
XLogP3.62
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride (CID 82253553) is 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride?
The InChIKey is ZGNLMMYHWDEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O.ClH/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);1H.
What are the key properties of 4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride?
4-[(4-chlorophenoxy)methyl]benzenecarboximidamide;hydrochloride has a molecular weight of 297.19 g/mol, XLogP of 3.62, 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;hydrochloride is sourced from PubChem (CID 82253553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).