N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride

C15H16BrClN2 — CID 69168828

IUPACN'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1)=N\Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2.ClH/c16-14-8-6-13(7-9-14)11-18-15(17)10-12-4-2-1-3-5-12;/h1-9H,10-11H2,(H2,17,18);1H
InChIKeyIPSRYVPFVUNLSY-UHFFFAOYSA-N
MW339.66 g/mol
LogP3.97
Rot. Bonds4

About N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride

N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride (PubChem CID 69168828) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride
PubChem CID69168828
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC NameN'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride
SMILESCl.N/C(Cc1ccccc1)=N\Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2.ClH/c16-14-8-6-13(7-9-14)11-18-15(17)10-12-4-2-1-3-5-12;/h1-9H,10-11H2,(H2,17,18);1H
InChIKeyIPSRYVPFVUNLSY-UHFFFAOYSA-N
XLogP3.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 53.97
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'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride?
The IUPAC name of N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride (CID 69168828) is N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride is Cl.N/C(Cc1ccccc1)=N\Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride?
The InChIKey is IPSRYVPFVUNLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2.ClH/c16-14-8-6-13(7-9-14)11-18-15(17)10-12-4-2-1-3-5-12;/h1-9H,10-11H2,(H2,17,18);1H.
What are the key properties of N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride?
N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride has a molecular weight of 339.66 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-2-phenylethanimidamide;hydrochloride is sourced from PubChem (CID 69168828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).