N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide

C15H15ClN2 — CID 55138229

IUPACN'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2/c16-14-8-6-12(7-9-14)10-11-18-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyYXQOWGXKTKOZOK-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.29
Rot. Bonds4

About N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide

N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide (PubChem CID 55138229) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
PubChem CID55138229
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2/c16-14-8-6-12(7-9-14)10-11-18-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyYXQOWGXKTKOZOK-UHFFFAOYSA-N
XLogP3.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide (CID 55138229) is N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide is N/C(=N\CCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide?
The InChIKey is YXQOWGXKTKOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-8-6-12(7-9-14)10-11-18-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide?
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide has a molecular weight of 258.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 55138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).