2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide

C14H10BrF3N2O — CID 107279513

IUPAC2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C14H10BrF3N2O/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H3,19,20)
InChIKeyWHGPCLUETRCMHZ-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.54
Rot. Bonds3

About 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide

2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide (PubChem CID 107279513) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
PubChem CID107279513
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C14H10BrF3N2O/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H3,19,20)
InChIKeyWHGPCLUETRCMHZ-UHFFFAOYSA-N
XLogP4.54
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.54
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-[2-(trifluoromethyl)phenoxy]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-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
CID 62925467
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
CID 107279485
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
2-amino-5-[2-(trifluoromethyl)phenoxy]benzamide
CID 61312851
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide (CID 107279513) is 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide?
The InChIKey is WHGPCLUETRCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H3,19,20).
What are the key properties of 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide?
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide has a molecular weight of 359.15 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107279513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).