2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide

C13H9BrClFN2O — CID 107279626

IUPAC2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-10-5-7(1-3-9(10)13(17)18)19-8-2-4-12(16)11(15)6-8/h1-6H,(H3,17,18)
InChIKeyGPIFFFIDMDTNNI-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.32
Rot. Bonds3

About 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide

2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide (PubChem CID 107279626) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
PubChem CID107279626
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-10-5-7(1-3-9(10)13(17)18)19-8-2-4-12(16)11(15)6-8/h1-6H,(H3,17,18)
InChIKeyGPIFFFIDMDTNNI-UHFFFAOYSA-N
XLogP4.32
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.32
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-(3-chloro-4-fluorophenoxy)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

4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 107279610
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide (CID 107279626) is 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(F)c(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The InChIKey is GPIFFFIDMDTNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-10-5-7(1-3-9(10)13(17)18)19-8-2-4-12(16)11(15)6-8/h1-6H,(H3,17,18).
What are the key properties of 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide has a molecular weight of 343.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).