3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide

C13H9BrCl2N2O — CID 82799447

IUPAC3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-9-5-7(13(17)18)1-4-12(9)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyQVSYTTZYBCGQFH-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.83
Rot. Bonds3

About 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide

3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide (PubChem CID 82799447) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
PubChem CID82799447
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-9-5-7(13(17)18)1-4-12(9)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyQVSYTTZYBCGQFH-UHFFFAOYSA-N
XLogP4.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.83
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-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597271
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide (CID 82799447) is 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide?
The InChIKey is QVSYTTZYBCGQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-9-5-7(13(17)18)1-4-12(9)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18).
What are the key properties of 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide?
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide has a molecular weight of 360.04 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 82799447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).