2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride

C21H21ClN2 — CID 69168145

IUPAC2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2.ClH/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19;/h1-14H,15-16H2,(H2,22,23);1H
InChIKeyIGDLUXGYYYZZKG-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.88
Rot. Bonds5

About 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride

2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride (PubChem CID 69168145) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride
PubChem CID69168145
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2.ClH/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19;/h1-14H,15-16H2,(H2,22,23);1H
InChIKeyIGDLUXGYYYZZKG-UHFFFAOYSA-N
XLogP4.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.88
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 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride?
The IUPAC name of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride (CID 69168145) is 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride?
The canonical SMILES for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride is Cl.N/C(Cc1ccccc1)=N\Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride?
The InChIKey is IGDLUXGYYYZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2.ClH/c22-21(15-17-7-3-1-4-8-17)23-16-18-11-13-20(14-12-18)19-9-5-2-6-10-19;/h1-14H,15-16H2,(H2,22,23);1H.
What are the key properties of 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride?
2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[(4-phenylphenyl)methyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 69168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).