General Information of the Compound
Compound ID
CP0953945
Compound Name
2-acetamido-N-(3-(trifluoromethyl)phenyl)benzamide
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Structure
Formula
C16H13F3N2O2
Molecular Weight
322.286
Canonical SMILES
CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
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InChI
InChI=1S/C16H13F3N2O2/c1-10(22)20-14-8-3-2-7-13(14)15(23)21-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
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InChIKey
FQCLYZLHRCQQJD-UHFFFAOYSA-N
Physicochemical Property
logP
3.9161
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 3348337
ChEMBL ID
CHEMBL3717591
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: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 74700 nM
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