N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride

C15H15BrCl2N2 — CID 69169769

IUPACN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br
InChIInChI=1S/C15H14BrClN2.ClH/c16-13-7-3-1-6-12(13)10-19-15(18)9-11-5-2-4-8-14(11)17;/h1-8H,9-10H2,(H2,18,19);1H
InChIKeyBOERWMIGURFCDH-UHFFFAOYSA-N
MW374.11 g/mol
LogP4.62
Rot. Bonds4

About N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride

N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride (PubChem CID 69169769) has the molecular formula C15H15BrCl2N2 and a molecular weight of 374.11 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride
PubChem CID69169769
Molecular FormulaC15H15BrCl2N2
Molecular Weight374.11 g/mol
Exact Mass371.98
IUPAC NameN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br
InChIInChI=1S/C15H14BrClN2.ClH/c16-13-7-3-1-6-12(13)10-19-15(18)9-11-5-2-4-8-14(11)17;/h1-8H,9-10H2,(H2,18,19);1H
InChIKeyBOERWMIGURFCDH-UHFFFAOYSA-N
XLogP4.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 54.62
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-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride (CID 69169769) is N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride is Cl.N/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride?
The InChIKey is BOERWMIGURFCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2.ClH/c16-13-7-3-1-6-12(13)10-19-15(18)9-11-5-2-4-8-14(11)17;/h1-8H,9-10H2,(H2,18,19);1H.
What are the key properties of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride?
N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride has a molecular weight of 374.11 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 69169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).