4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide

C14H11BrF2N2O — CID 81293478

IUPAC4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Br)cc2C)c(F)c1
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-9(15)2-3-12(7)20-13-10(16)5-8(14(18)19)6-11(13)17/h2-6H,1H3,(H3,18,19)
InChIKeyNDVYXZNPJSBRJB-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.11
Rot. Bonds3

About 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide

4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293478) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
PubChem CID81293478
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Br)cc2C)c(F)c1
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-9(15)2-3-12(7)20-13-10(16)5-8(14(18)19)6-11(13)17/h2-6H,1H3,(H3,18,19)
InChIKeyNDVYXZNPJSBRJB-UHFFFAOYSA-N
XLogP4.11
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.11
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 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide 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-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81342133

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide (CID 81293478) is 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2ccc(Br)cc2C)c(F)c1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide?
The InChIKey is NDVYXZNPJSBRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-4-9(15)2-3-12(7)20-13-10(16)5-8(14(18)19)6-11(13)17/h2-6H,1H3,(H3,18,19).
What are the key properties of 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide?
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide has a molecular weight of 341.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).