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

C18H15FINO — CID 56989006

IUPAC2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I
InChIInChI=1S/C18H15FINO/c1-21-15-10-13(11-6-3-2-4-7-11)18(22)16(15)12-8-5-9-14(19)17(12)20/h2-9,13,16H,10H2,1H3/b21-15+
InChIKeyYUXDLWYJTGKDCE-RCCKNPSSSA-N
MW407.23 g/mol
LogP4.34
Rot. Bonds2

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

2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one (PubChem CID 56989006) has the molecular formula C18H15FINO and a molecular weight of 407.23 g/mol. Its IUPAC name is 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one
PubChem CID56989006
Molecular FormulaC18H15FINO
Molecular Weight407.23 g/mol
Exact Mass407.02
IUPAC Name2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I
InChIInChI=1S/C18H15FINO/c1-21-15-10-13(11-6-3-2-4-7-11)18(22)16(15)12-8-5-9-14(19)17(12)20/h2-9,13,16H,10H2,1H3/b21-15+
InChIKeyYUXDLWYJTGKDCE-RCCKNPSSSA-N
XLogP4.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
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-methylimino-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-methylimino-5-phenylcyclopentan-1-one?
The IUPAC name of 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one (CID 56989006) is 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one.
What is the SMILES notation for 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one?
The canonical SMILES for 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one is C/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(F)c1I.
What is the InChIKey of 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one?
The InChIKey is YUXDLWYJTGKDCE-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H15FINO/c1-21-15-10-13(11-6-3-2-4-7-11)18(22)16(15)12-8-5-9-14(19)17(12)20/h2-9,13,16H,10H2,1H3/b21-15+.
What are the key properties of 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one?
2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one has a molecular weight of 407.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one is sourced from PubChem (CID 56989006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).