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

C15H14BrClN2 — CID 69169770

IUPACN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br
InChIInChI=1S/C15H14BrClN2/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)
InChIKeyCDSUTWAIMPZIKK-UHFFFAOYSA-N
MW337.65 g/mol
LogP4.20
Rot. Bonds4

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

N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide (PubChem CID 69169770) has the molecular formula C15H14BrClN2 and a molecular weight of 337.65 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide
PubChem CID69169770
Molecular FormulaC15H14BrClN2
Molecular Weight337.65 g/mol
Exact Mass336.00
IUPAC NameN'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br
InChIInChI=1S/C15H14BrClN2/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)
InChIKeyCDSUTWAIMPZIKK-UHFFFAOYSA-N
XLogP4.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 54.20
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?
The IUPAC name of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide (CID 69169770) is N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide is N/C(Cc1ccccc1Cl)=N\Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide?
The InChIKey is CDSUTWAIMPZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2/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).
What are the key properties of N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide?
N'-[(2-bromophenyl)methyl]-2-(2-chlorophenyl)ethanimidamide has a molecular weight of 337.65 g/mol, XLogP of 4.20, 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 is sourced from PubChem (CID 69169770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).