General Information of the Compound
Compound ID
CP0422112
Compound Name
3-chloro-N-(3-(2-methoxyacetamido)phenyl)benzamide
    Show/Hide
Structure
Formula
C16H15ClN2O3
Molecular Weight
318.76
Canonical SMILES
COCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
    Show/Hide
InChI
InChI=1S/C16H15ClN2O3/c1-22-10-15(20)18-13-6-3-7-14(9-13)19-16(21)11-4-2-5-12(17)8-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
    Show/Hide
InChIKey
PSQLPTUXUAHHKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1772
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 46879470
ChEMBL ID
CHEMBL1080811
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS