(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

C16H16BrClN2 — CID 69119588

IUPAC(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCl.NC(/C=C/c1ccccc1)=N\Cc1ccccc1Br
InChIInChI=1S/C16H15BrN2.ClH/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13;/h1-11H,12H2,(H2,18,19);1H/b11-10+;
InChIKeyAQXKAZPGUWRCJA-ASTDGNLGSA-N
MW351.68 g/mol
LogP4.44
Rot. Bonds4

About (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (PubChem CID 69119588) has the molecular formula C16H16BrClN2 and a molecular weight of 351.68 g/mol. Its IUPAC name is (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.

Molecular Properties

Compound Name(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
PubChem CID69119588
Molecular FormulaC16H16BrClN2
Molecular Weight351.68 g/mol
Exact Mass350.02
IUPAC Name(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCl.NC(/C=C/c1ccccc1)=N\Cc1ccccc1Br
InChIInChI=1S/C16H15BrN2.ClH/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13;/h1-11H,12H2,(H2,18,19);1H/b11-10+;
InChIKeyAQXKAZPGUWRCJA-ASTDGNLGSA-N
XLogP4.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.68
LogP ≤ 54.44
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 (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The IUPAC name of (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (CID 69119588) is (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.
What is the SMILES notation for (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The canonical SMILES for (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is Cl.NC(/C=C/c1ccccc1)=N\Cc1ccccc1Br.
What is the InChIKey of (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The InChIKey is AQXKAZPGUWRCJA-ASTDGNLGSA-N. The full InChI is InChI=1S/C16H15BrN2.ClH/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13;/h1-11H,12H2,(H2,18,19);1H/b11-10+;.
What are the key properties of (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
(E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride has a molecular weight of 351.68 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(2-bromophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is sourced from PubChem (CID 69119588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).