General Information of the Compound
Compound ID
CP0527340
Compound Name
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
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Structure
Formula
C16H17ClN2O
Molecular Weight
288.778
Canonical SMILES
CN(C)c1ccccc1NC(=O)Cc1cccc(Cl)c1
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InChI
InChI=1S/C16H17ClN2O/c1-19(2)15-9-4-3-8-14(15)18-16(20)11-12-6-5-7-13(17)10-12/h3-10H,11H2,1-2H3,(H,18,20)
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InChIKey
ZMGXDQCEPADWPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5872
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 53384824
SID: 144218398
ChEMBL ID
CHEMBL2163678
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 27420 nM
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