N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride

C19H18Cl2N2 — CID 44531350

IUPACN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2.ClH/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17;/h1-10,13H,11-12H2,(H2,21,22);1H
InChIKeyHNOAZGOOQCXSKO-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.86
Rot. Bonds4

About N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride

N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride (PubChem CID 44531350) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride
PubChem CID44531350
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC NameN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2.ClH/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17;/h1-10,13H,11-12H2,(H2,21,22);1H
InChIKeyHNOAZGOOQCXSKO-UHFFFAOYSA-N
XLogP4.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.86
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-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride (CID 44531350) is N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride is Cl.N/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride?
The InChIKey is HNOAZGOOQCXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2.ClH/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17;/h1-10,13H,11-12H2,(H2,21,22);1H.
What are the key properties of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride?
N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 44531350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).