4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide

C15H14F2N2O — CID 81293862

IUPAC4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccccc2CC)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-2-9-5-3-4-6-13(9)20-14-11(16)7-10(15(18)19)8-12(14)17/h3-8H,2H2,1H3,(H3,18,19)
InChIKeyDZTHLQFYENMWAE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.60
Rot. Bonds4

About 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide

4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293862) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
PubChem CID81293862
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccccc2CC)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-2-9-5-3-4-6-13(9)20-14-11(16)7-10(15(18)19)8-12(14)17/h3-8H,2H2,1H3,(H3,18,19)
InChIKeyDZTHLQFYENMWAE-UHFFFAOYSA-N
XLogP3.60
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.60
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-(2-ethylphenoxy)-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-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
4-[2-(2-ethylphenoxy)ethoxy]benzenecarboximidamide
CID 61300591
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide (CID 81293862) is 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2ccccc2CC)c(F)c1.
What is the InChIKey of 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide?
The InChIKey is DZTHLQFYENMWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-2-9-5-3-4-6-13(9)20-14-11(16)7-10(15(18)19)8-12(14)17/h3-8H,2H2,1H3,(H3,18,19).
What are the key properties of 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide?
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide has a molecular weight of 276.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).