General Information of the Compound
Compound ID
CP0522350
Compound Name
N-(4-iodophenyl)-2-(trifluoromethyl)benzamide
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Structure
Formula
C14H9F3INO
Molecular Weight
391.13
Canonical SMILES
FC(F)(F)c1ccccc1C(=O)Nc1ccc(I)cc1
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InChI
InChI=1S/C14H9F3INO/c15-14(16,17)12-4-2-1-3-11(12)13(20)19-10-7-5-9(18)6-8-10/h1-8H,(H,19,20)
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InChIKey
UXYCHXFSCZPVCY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5623
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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).

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PubChem ID
CID: 2272103
ChEMBL ID
CHEMBL252225
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 > 10000 nM
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   TS