General Information of the Compound
Compound ID
CP0569030
Compound Name
N-[3-(difluoromethoxy)phenyl]-2-(4-methoxyphenyl)acetamide
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Structure
Formula
C16H15F2NO3
Molecular Weight
307.296
Canonical SMILES
COc1ccc(CC(=O)Nc2cccc(OC(F)F)c2)cc1
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InChI
InChI=1S/C16H15F2NO3/c1-21-13-7-5-11(6-8-13)9-15(20)19-12-3-2-4-14(10-12)22-16(17)18/h2-8,10,16H,9H2,1H3,(H,19,20)
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InChIKey
ADDDQQRULAFQQK-UHFFFAOYSA-N
Physicochemical Property
logP
3.4778
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
47.56
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 167942611
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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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