General Information of the Compound
Compound ID
CP0446523
Compound Name
N-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)benzamide
    Show/Hide
Structure
Formula
C15H9F3INO2
Molecular Weight
419.14
Canonical SMILES
FC(F)(F)C(=O)c1ccc(cc1)C(=O)Nc1ccc(I)cc1
    Show/Hide
InChI
InChI=1S/C15H9F3INO2/c16-15(17,18)13(21)9-1-3-10(4-2-9)14(22)20-12-7-5-11(19)6-8-12/h1-8H,(H,20,22)
    Show/Hide
InChIKey
WGCIJYPPGNCWFC-UHFFFAOYSA-N
Physicochemical Property
logP
4.2885
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44447611
ChEMBL ID
CHEMBL251812
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 790 nM
   TI
   LI
   LO
   TS