N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide

C11H14BrClN2 — CID 169365515

IUPACN'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
SMILESCc1cc(C)c(/N=C(/N)CCl)c(C)c1Br
InChIInChI=1S/C11H14BrClN2/c1-6-4-7(2)11(8(3)10(6)12)15-9(14)5-13/h4H,5H2,1-3H3,(H2,14,15)
InChIKeyNWQDIOMYXMWKTC-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.60
Rot. Bonds2

About N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide

N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide (PubChem CID 169365515) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
PubChem CID169365515
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC NameN'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
SMILESCc1cc(C)c(/N=C(/N)CCl)c(C)c1Br
InChIInChI=1S/C11H14BrClN2/c1-6-4-7(2)11(8(3)10(6)12)15-9(14)5-13/h4H,5H2,1-3H3,(H2,14,15)
InChIKeyNWQDIOMYXMWKTC-UHFFFAOYSA-N
XLogP3.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.60
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

N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
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'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide (CID 169365515) is N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide is Cc1cc(C)c(/N=C(/N)CCl)c(C)c1Br.
What is the InChIKey of N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide?
The InChIKey is NWQDIOMYXMWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-6-4-7(2)11(8(3)10(6)12)15-9(14)5-13/h4H,5H2,1-3H3,(H2,14,15).
What are the key properties of N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide?
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide has a molecular weight of 289.60 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).