General Information of the Compound
Compound ID
CP0390318
Compound Name
N-(3-acetamidophenyl)-3-chlorobenzamide
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Synonyms
3-chloro-N-(3-acetamidophenyl)benzamide
312632-92-1
AB00088853-01
AC1LDLQ1
AC1Q1KO6
AKOS001296542
BDBM50312136
CHEBI:93070
CHEMBL1080810
Cambridge id 5554516
EU-0002463
MCULE-8869105852
MLS002699912
MolPort-001-508-240
N-(3-acetamidophenyl)-3-chlorobenzamide
N-[3-(acetylamino)phenyl]-3-chlorobenzamide
N-{3-[(3-chlorophenyl)carbonylamino]phenyl}acetamide
Oprea1_130541
Oprea1_356143
SMR001530668
SR-01000407944
SR-01000407944-1
ST042764
STK036460
Z28281866
ZINC29723
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Structure
Formula
C15H13ClN2O2
Molecular Weight
288.734
Canonical SMILES
CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
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InChI
InChI=1S/C15H13ClN2O2/c1-10(19)17-13-6-3-7-14(9-13)18-15(20)11-4-2-5-12(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20)
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InChIKey
XZMOBKLRYXTSSS-UHFFFAOYSA-N
Physicochemical Property
logP
3.5507
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
58.2
Hydrogen Bond Donor Count
2
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: 669190
ChEMBL ID
CHEMBL1080810
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 = 7970 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(3-acetamidophenyl)-3-chlorobenzamide )
Drug Name N-(3-acetamidophenyl)-3-chlorobenzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor