(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride

C19H14Cl2IN — CID 5473040

IUPAC(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
SMILESCl.Cl/C(=C\C=N\c1ccc(I)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClIN.ClH/c20-19(11-12-22-18-9-7-17(21)8-10-18)16-6-5-14-3-1-2-4-15(14)13-16;/h1-13H;1H/b19-11-,22-12+;
InChIKeyCJKRYMHFLVYKHG-JLSBAMCUSA-N
MW454.14 g/mol
LogP6.85
Rot. Bonds3

About (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride

(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride (PubChem CID 5473040) has the molecular formula C19H14Cl2IN and a molecular weight of 454.14 g/mol. Its IUPAC name is (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
PubChem CID5473040
Molecular FormulaC19H14Cl2IN
Molecular Weight454.14 g/mol
Exact Mass452.95
IUPAC Name(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
SMILESCl.Cl/C(=C\C=N\c1ccc(I)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClIN.ClH/c20-19(11-12-22-18-9-7-17(21)8-10-18)16-6-5-14-3-1-2-4-15(14)13-16;/h1-13H;1H/b19-11-,22-12+;
InChIKeyCJKRYMHFLVYKHG-JLSBAMCUSA-N
XLogP6.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.14
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The IUPAC name of (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride (CID 5473040) is (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride.
What is the SMILES notation for (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The canonical SMILES for (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride is Cl.Cl/C(=C\C=N\c1ccc(I)cc1)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The InChIKey is CJKRYMHFLVYKHG-JLSBAMCUSA-N. The full InChI is InChI=1S/C19H13ClIN.ClH/c20-19(11-12-22-18-9-7-17(21)8-10-18)16-6-5-14-3-1-2-4-15(14)13-16;/h1-13H;1H/b19-11-,22-12+;.
What are the key properties of (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
(Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride has a molecular weight of 454.14 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-(4-iodophenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride is sourced from PubChem (CID 5473040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).