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

C9H8Br2Cl2N2 — CID 169365391

IUPAC2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
SMILESCc1c(Cl)cc(Br)c(/N=C(/N)CCl)c1Br
InChIInChI=1S/C9H8Br2Cl2N2/c1-4-6(13)2-5(10)9(8(4)11)15-7(14)3-12/h2H,3H2,1H3,(H2,14,15)
InChIKeyGFZUAJHVMSIVJH-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.40
Rot. Bonds2

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

2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide (PubChem CID 169365391) has the molecular formula C9H8Br2Cl2N2 and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
PubChem CID169365391
Molecular FormulaC9H8Br2Cl2N2
Molecular Weight374.89 g/mol
Exact Mass371.84
IUPAC Name2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
SMILESCc1c(Cl)cc(Br)c(/N=C(/N)CCl)c1Br
InChIInChI=1S/C9H8Br2Cl2N2/c1-4-6(13)2-5(10)9(8(4)11)15-7(14)3-12/h2H,3H2,1H3,(H2,14,15)
InChIKeyGFZUAJHVMSIVJH-UHFFFAOYSA-N
XLogP4.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.40
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'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
CID 169365195
2-chloro-N'-(4,6-dibromo-2-methyl-3-nitrophenyl)ethanimidamide
CID 169367133
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
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide (CID 169365391) is 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide is Cc1c(Cl)cc(Br)c(/N=C(/N)CCl)c1Br.
What is the InChIKey of 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide?
The InChIKey is GFZUAJHVMSIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2Cl2N2/c1-4-6(13)2-5(10)9(8(4)11)15-7(14)3-12/h2H,3H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide?
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide has a molecular weight of 374.89 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide is sourced from PubChem (CID 169365391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).