2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one

C17H13FINO — CID 56992192

IUPAC2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
SMILES[H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I
InChIInChI=1S/C17H13FINO/c18-13-8-4-7-11(16(13)19)15-14(20)9-12(17(15)21)10-5-2-1-3-6-10/h1-8,12,15,20H,9H2/b20-14+
InChIKeyYOTGIOGYVVIBEE-XSFVSMFZSA-N
MW393.20 g/mol
LogP4.29
Rot. Bonds2

About 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one

2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one (PubChem CID 56992192) has the molecular formula C17H13FINO and a molecular weight of 393.20 g/mol. Its IUPAC name is 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
PubChem CID56992192
Molecular FormulaC17H13FINO
Molecular Weight393.20 g/mol
Exact Mass393.00
IUPAC Name2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
SMILES[H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I
InChIInChI=1S/C17H13FINO/c18-13-8-4-7-11(16(13)19)15-14(20)9-12(17(15)21)10-5-2-1-3-6-10/h1-8,12,15,20H,9H2/b20-14+
InChIKeyYOTGIOGYVVIBEE-XSFVSMFZSA-N
XLogP4.29
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one 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 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one?
The IUPAC name of 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one (CID 56992192) is 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one.
What is the SMILES notation for 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one?
The canonical SMILES for 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one is [H]/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I.
What is the InChIKey of 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one?
The InChIKey is YOTGIOGYVVIBEE-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H13FINO/c18-13-8-4-7-11(16(13)19)15-14(20)9-12(17(15)21)10-5-2-1-3-6-10/h1-8,12,15,20H,9H2/b20-14+.
What are the key properties of 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one?
2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one has a molecular weight of 393.20 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one is sourced from PubChem (CID 56992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).