5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol

C16H15FINO2 — CID 143582789

IUPAC5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol
SMILESCCc1ccc(Oc2ccc(/C(C)=N/I)cc2F)c(O)c1
InChIInChI=1S/C16H15FINO2/c1-3-11-4-6-16(14(20)8-11)21-15-7-5-12(9-13(15)17)10(2)19-18/h4-9,20H,3H2,1-2H3/b19-10+
InChIKeyIJGKZUFBUNIDQN-VXLYETTFSA-N
MW399.20 g/mol
LogP5.05
Rot. Bonds4

About 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol

5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol (PubChem CID 143582789) has the molecular formula C16H15FINO2 and a molecular weight of 399.20 g/mol. Its IUPAC name is 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol.

Molecular Properties

Compound Name5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol
PubChem CID143582789
Molecular FormulaC16H15FINO2
Molecular Weight399.20 g/mol
Exact Mass399.01
IUPAC Name5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol
SMILESCCc1ccc(Oc2ccc(/C(C)=N/I)cc2F)c(O)c1
InChIInChI=1S/C16H15FINO2/c1-3-11-4-6-16(14(20)8-11)21-15-7-5-12(9-13(15)17)10(2)19-18/h4-9,20H,3H2,1-2H3/b19-10+
InChIKeyIJGKZUFBUNIDQN-VXLYETTFSA-N
XLogP5.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol?
The IUPAC name of 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol (CID 143582789) is 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol.
What is the SMILES notation for 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol?
The canonical SMILES for 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol is CCc1ccc(Oc2ccc(/C(C)=N/I)cc2F)c(O)c1.
What is the InChIKey of 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol?
The InChIKey is IJGKZUFBUNIDQN-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15FINO2/c1-3-11-4-6-16(14(20)8-11)21-15-7-5-12(9-13(15)17)10(2)19-18/h4-9,20H,3H2,1-2H3/b19-10+.
What are the key properties of 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol?
5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol has a molecular weight of 399.20 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol is sourced from PubChem (CID 143582789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).