2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide

C9H9Br2ClN2 — CID 169368149

IUPAC2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
SMILESCc1cc(Br)c(/N=C(/N)CCl)cc1Br
InChIInChI=1S/C9H9Br2ClN2/c1-5-2-7(11)8(3-6(5)10)14-9(13)4-12/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyXAQBXTOZDHPXFD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide

2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide (PubChem CID 169368149) has the molecular formula C9H9Br2ClN2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
PubChem CID169368149
Molecular FormulaC9H9Br2ClN2
Molecular Weight340.45 g/mol
Exact Mass337.88
IUPAC Name2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
SMILESCc1cc(Br)c(/N=C(/N)CCl)cc1Br
InChIInChI=1S/C9H9Br2ClN2/c1-5-2-7(11)8(3-6(5)10)14-9(13)4-12/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyXAQBXTOZDHPXFD-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(2,5-dibromo-4-methylphenyl)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'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
methyl 2-[(1-amino-2-chloroethylidene)amino]-5-bromo-4-methylbenzoate
CID 169369184
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
CID 169365573
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide (CID 169368149) is 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide is Cc1cc(Br)c(/N=C(/N)CCl)cc1Br.
What is the InChIKey of 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide?
The InChIKey is XAQBXTOZDHPXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2ClN2/c1-5-2-7(11)8(3-6(5)10)14-9(13)4-12/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide?
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide has a molecular weight of 340.45 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide is sourced from PubChem (CID 169368149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).