General Information of the Compound
Compound ID
CP0390291
Compound Name
3-chloro-N-(3-(4-fluorobenzamido)phenyl)benzamide
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Structure
Formula
C20H14ClFN2O2
Molecular Weight
368.795
Canonical SMILES
Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
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InChI
InChI=1S/C20H14ClFN2O2/c21-15-4-1-3-14(11-15)20(26)24-18-6-2-5-17(12-18)23-19(25)13-7-9-16(22)10-8-13/h1-12H,(H,23,25)(H,24,26)
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InChIKey
KCJLEXFFDQUJTC-UHFFFAOYSA-N
Physicochemical Property
logP
4.9837
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 46880146
ChEMBL ID
CHEMBL1076498
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
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