2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide

C15H14Br2N2O — CID 107724642

IUPAC2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H14Br2N2O/c1-8-5-11(6-9(2)14(8)17)20-10-3-4-12(15(18)19)13(16)7-10/h3-7H,1-2H3,(H3,18,19)
InChIKeyWRGPJPCHAOXCPE-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.90
Rot. Bonds3

About 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide

2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide (PubChem CID 107724642) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
PubChem CID107724642
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H14Br2N2O/c1-8-5-11(6-9(2)14(8)17)20-10-3-4-12(15(18)19)13(16)7-10/h3-7H,1-2H3,(H3,18,19)
InChIKeyWRGPJPCHAOXCPE-UHFFFAOYSA-N
XLogP4.90
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.90
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'}

Analyze 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide 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

2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(3,4-dimethylphenoxy)benzenecarbothioamide
CID 107278286
2-bromo-4-(4-chloro-3,5-dimethylphenoxy)benzenecarbothioamide
CID 107278341
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide (CID 107724642) is 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The InChIKey is WRGPJPCHAOXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-8-5-11(6-9(2)14(8)17)20-10-3-4-12(15(18)19)13(16)7-10/h3-7H,1-2H3,(H3,18,19).
What are the key properties of 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide has a molecular weight of 398.10 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).