2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide

C9H8Br3ClN2 — CID 169365470

IUPAC2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
SMILESCc1c(Br)cc(Br)c(/N=C(/N)CCl)c1Br
InChIInChI=1S/C9H8Br3ClN2/c1-4-5(10)2-6(11)9(8(4)12)15-7(14)3-13/h2H,3H2,1H3,(H2,14,15)
InChIKeyKLBOKUGLBQOUQF-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide

2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide (PubChem CID 169365470) has the molecular formula C9H8Br3ClN2 and a molecular weight of 419.34 g/mol. Its IUPAC name is 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
PubChem CID169365470
Molecular FormulaC9H8Br3ClN2
Molecular Weight419.34 g/mol
Exact Mass415.79
IUPAC Name2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
SMILESCc1c(Br)cc(Br)c(/N=C(/N)CCl)c1Br
InChIInChI=1S/C9H8Br3ClN2/c1-4-5(10)2-6(11)9(8(4)12)15-7(14)3-13/h2H,3H2,1H3,(H2,14,15)
InChIKeyKLBOKUGLBQOUQF-UHFFFAOYSA-N
XLogP4.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.51
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'}

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Related Compounds

2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(4,6-dibromo-2-methyl-3-nitrophenyl)ethanimidamide
CID 169367133
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
N'-(2-bromo-4-tert-butyl-6-fluorophenyl)-2-chloroethanimidamide
CID 169367535
2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
CID 169365748
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide (CID 169365470) is 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide is Cc1c(Br)cc(Br)c(/N=C(/N)CCl)c1Br.
What is the InChIKey of 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide?
The InChIKey is KLBOKUGLBQOUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3ClN2/c1-4-5(10)2-6(11)9(8(4)12)15-7(14)3-13/h2H,3H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide?
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide has a molecular weight of 419.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide is sourced from PubChem (CID 169365470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).