2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide

C12H17Br2ClN2 — CID 21430129

IUPAC2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide
SMILESBr.CC/N=C(/Cc1ccc(Br)c(Cl)c1)NCC
InChIInChI=1S/C12H16BrClN2.BrH/c1-3-15-12(16-4-2)8-9-5-6-10(13)11(14)7-9;/h5-7H,3-4,8H2,1-2H3,(H,15,16);1H
InChIKeyCAWURYSHSNCQQB-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide

2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide (PubChem CID 21430129) has the molecular formula C12H17Br2ClN2 and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide
PubChem CID21430129
Molecular FormulaC12H17Br2ClN2
Molecular Weight384.54 g/mol
Exact Mass381.94
IUPAC Name2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide
SMILESBr.CC/N=C(/Cc1ccc(Br)c(Cl)c1)NCC
InChIInChI=1S/C12H16BrClN2.BrH/c1-3-15-12(16-4-2)8-9-5-6-10(13)11(14)7-9;/h5-7H,3-4,8H2,1-2H3,(H,15,16);1H
InChIKeyCAWURYSHSNCQQB-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.25
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-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide (CID 21430129) is 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide is Br.CC/N=C(/Cc1ccc(Br)c(Cl)c1)NCC.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide?
The InChIKey is CAWURYSHSNCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2.BrH/c1-3-15-12(16-4-2)8-9-5-6-10(13)11(14)7-9;/h5-7H,3-4,8H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide?
2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide has a molecular weight of 384.54 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide is sourced from PubChem (CID 21430129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).