24981810
  -OEChem-04232421412D

 48 50  0     0  0  0  0  0  0999 V2000
    5.4641    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24981810

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
428

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgIQAAAADA7hmCYyxoPABACIAiVSUAKCCAAhJ0AIiABOf4gOZiPFs5+XOCjk1BHY6AeQwBAOBAABAAAACCAIAAIAAAAQQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-chloro-5-methyl-phenoxy)-N-[2-(1-piperidyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-chloro-5-methylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-chloro-5-methylphenoxy)-<I>N</I>-(2-piperidin-1-ylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-chloro-5-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-chloranyl-5-methyl-phenoxy)-N-(2-piperidin-1-ylphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-chloro-5-methyl-phenoxy)-N-(2-piperidinophenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23ClN2O2/c1-15-9-10-16(21)19(13-15)25-14-20(24)22-17-7-3-4-8-18(17)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
WKKNMKRPZAWISF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
358.1448057

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
358.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=CC=CC=C2N3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)Cl)OCC(=O)NC2=CC=CC=C2N3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.1448057

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
19  20  8
19  22  8
20  21  8
21  23  8
22  24  8
23  24  8

$$$$