N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide

C14H12BrClN2 — CID 59251316

IUPACN'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1Cl)=N\c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2/c15-11-5-7-12(8-6-11)18-14(17)9-10-3-1-2-4-13(10)16/h1-8H,9H2,(H2,17,18)
InChIKeyHAARKBNEBLAFJA-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.33
Rot. Bonds3

About N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide

N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide (PubChem CID 59251316) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide
PubChem CID59251316
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC NameN'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1Cl)=N\c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2/c15-11-5-7-12(8-6-11)18-14(17)9-10-3-1-2-4-13(10)16/h1-8H,9H2,(H2,17,18)
InChIKeyHAARKBNEBLAFJA-UHFFFAOYSA-N
XLogP4.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.33
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)-2-(2-chlorophenyl)ethanimidamide?
The IUPAC name of N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide (CID 59251316) is N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide.
What is the SMILES notation for N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide?
The canonical SMILES for N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide is N/C(Cc1ccccc1Cl)=N\c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide?
The InChIKey is HAARKBNEBLAFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-11-5-7-12(8-6-11)18-14(17)9-10-3-1-2-4-13(10)16/h1-8H,9H2,(H2,17,18).
What are the key properties of N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide?
N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide has a molecular weight of 323.62 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2-(2-chlorophenyl)ethanimidamide is sourced from PubChem (CID 59251316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).