N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine

C15H10ClN — CID 135072087

IUPACN-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
SMILESClc1cccc(/N=C/C#Cc2ccccc2)c1
InChIInChI=1S/C15H10ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12H/b17-11+
InChIKeyQFBVJOQIVZJACH-GZTJUZNOSA-N
MW239.71 g/mol
LogP4.09
Rot. Bonds1

About N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine

N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine (PubChem CID 135072087) has the molecular formula C15H10ClN and a molecular weight of 239.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
PubChem CID135072087
Molecular FormulaC15H10ClN
Molecular Weight239.71 g/mol
Exact Mass239.05
IUPAC NameN-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
SMILESClc1cccc(/N=C/C#Cc2ccccc2)c1
InChIInChI=1S/C15H10ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12H/b17-11+
InChIKeyQFBVJOQIVZJACH-GZTJUZNOSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine?
The IUPAC name of N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine (CID 135072087) is N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine?
The canonical SMILES for N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine is Clc1cccc(/N=C/C#Cc2ccccc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine?
The InChIKey is QFBVJOQIVZJACH-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H10ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12H/b17-11+.
What are the key properties of N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine?
N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine has a molecular weight of 239.71 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 135072087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).