AM-694

C20H19FINO — CID 9889172

IUPAC[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone
SMILESC1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC=CC=C3I
InChIInChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyLFFIIZFINPPEMC-UHFFFAOYSA-N
MW435.30 g/mol
LogP5.30
Rot. Bonds7

About AM-694

AM-694 (PubChem CID 9889172) has the molecular formula C20H19FINO and a molecular weight of 435.30 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone.

Molecular Properties

Compound NameAM-694
PubChem CID9889172
Molecular FormulaC20H19FINO
Molecular Weight435.30 g/mol
Exact Mass435.05
IUPAC Name[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone
SMILESC1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC=CC=C3I
InChIInChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyLFFIIZFINPPEMC-UHFFFAOYSA-N
XLogP5.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity418

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.30
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of AM-694?
The IUPAC name of AM-694 (CID 9889172) is [1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone.
What is the SMILES notation for AM-694?
The canonical SMILES for AM-694 is C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC=CC=C3I.
What is the InChIKey of AM-694?
The InChIKey is LFFIIZFINPPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2.
What are the key properties of AM-694?
AM-694 has a molecular weight of 435.30 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for AM-694 is sourced from PubChem (CID 9889172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).