3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide

C15H14BrClN2O — CID 82800181

IUPAC3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(C)cc(Cl)cc2C)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-8-5-11(17)6-9(2)14(8)20-13-4-3-10(15(18)19)7-12(13)16/h3-7H,1-2H3,(H3,18,19)
InChIKeyVTSZNAAWRKFKHW-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.80
Rot. Bonds3

About 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide

3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide (PubChem CID 82800181) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
PubChem CID82800181
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(C)cc(Cl)cc2C)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-8-5-11(17)6-9(2)14(8)20-13-4-3-10(15(18)19)7-12(13)16/h3-7H,1-2H3,(H3,18,19)
InChIKeyVTSZNAAWRKFKHW-UHFFFAOYSA-N
XLogP4.80
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-(4,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 114341188
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597271
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide (CID 82800181) is 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2c(C)cc(Cl)cc2C)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide?
The InChIKey is VTSZNAAWRKFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-8-5-11(17)6-9(2)14(8)20-13-4-3-10(15(18)19)7-12(13)16/h3-7H,1-2H3,(H3,18,19).
What are the key properties of 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide?
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide has a molecular weight of 353.65 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 82800181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).