N'-(3-bromo-2-chlorophenyl)ethanimidamide

C8H8BrClN2 — CID 68562839

IUPACN'-(3-bromo-2-chlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cccc(Br)c1Cl
InChIInChI=1S/C8H8BrClN2/c1-5(11)12-7-4-2-3-6(9)8(7)10/h2-4H,1H3,(H2,11,12)
InChIKeyKMOJVSFBGOOOJG-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.11
Rot. Bonds1

About N'-(3-bromo-2-chlorophenyl)ethanimidamide

N'-(3-bromo-2-chlorophenyl)ethanimidamide (PubChem CID 68562839) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is N'-(3-bromo-2-chlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-2-chlorophenyl)ethanimidamide
PubChem CID68562839
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC NameN'-(3-bromo-2-chlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cccc(Br)c1Cl
InChIInChI=1S/C8H8BrClN2/c1-5(11)12-7-4-2-3-6(9)8(7)10/h2-4H,1H3,(H2,11,12)
InChIKeyKMOJVSFBGOOOJG-UHFFFAOYSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.11
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'}

Analyze N'-(3-bromo-2-chlorophenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-bromo-6-chlorophenyl)ethanimidamide;hydrochloride
CID 68563970
2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
2-(2,3-dichlorophenyl)-1-hydroxyguanidine
CID 62482072
N'-(4-bromo-2,3-dichlorophenyl)butanimidamide
CID 107794166
N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
CID 130496080
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
CID 2730227
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
2-(2-bromophenyl)-1-hydroxyguanidine
CID 62482676
N'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337
N'-(2-fluoro-3-methoxyphenyl)ethanimidamide
CID 164652328
2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide
CID 53255068

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2-chlorophenyl)ethanimidamide?
The IUPAC name of N'-(3-bromo-2-chlorophenyl)ethanimidamide (CID 68562839) is N'-(3-bromo-2-chlorophenyl)ethanimidamide.
What is the SMILES notation for N'-(3-bromo-2-chlorophenyl)ethanimidamide?
The canonical SMILES for N'-(3-bromo-2-chlorophenyl)ethanimidamide is C/C(N)=N\c1cccc(Br)c1Cl.
What is the InChIKey of N'-(3-bromo-2-chlorophenyl)ethanimidamide?
The InChIKey is KMOJVSFBGOOOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c1-5(11)12-7-4-2-3-6(9)8(7)10/h2-4H,1H3,(H2,11,12).
What are the key properties of N'-(3-bromo-2-chlorophenyl)ethanimidamide?
N'-(3-bromo-2-chlorophenyl)ethanimidamide has a molecular weight of 247.52 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-chlorophenyl)ethanimidamide is sourced from PubChem (CID 68562839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).