
 CHEMBL352576

 49 51  0  0  0  0  0  0  0  0999 V2000
    9.2013   -1.1568    2.8383 C   0  0  0  0  0
    7.8379   -0.5457    3.0132 C   0  0  0  0  0
    6.9812   -1.0513    3.7307 O   0  0  0  0  0
    7.6548    0.6280    2.3262 N   0  0  0  0  0
    6.4222    1.3696    2.4455 C   0  0  0  0  0
    6.4555    2.6060    1.5895 C   0  0  0  0  0
    5.9541    2.5782    0.2819 C   0  0  0  0  0
    6.0006    3.7228   -0.5168 C   0  0  0  0  0
    6.5610    4.9121   -0.0290 C   0  0  0  0  0
    7.0772    4.9331    1.2729 C   0  0  0  0  0
    7.0274    3.7897    2.0730 C   0  0  0  0  0
    6.5914    6.1551   -0.8936 C   0  0  0  0  0
    7.9484    6.6556   -1.1819 N   0  0  0  0  0
    8.7718    5.6873   -1.9349 C   0  0  0  0  0
    8.2829    5.3745   -3.3664 C   0  0  0  0  0
    8.0548    6.6031   -4.1714 N   0  0  0  0  0
    7.3593    7.6938   -3.4445 C   0  0  0  0  0
    7.8872    7.8885   -2.0016 C   0  0  0  0  0
    7.6406    6.3562   -5.5053 C   0  0  0  0  0
    6.5944    7.0457   -6.1663 C   0  0  0  0  0
    6.2053    6.7486   -7.4729 C   0  0  0  0  0
    6.8716    5.7582   -8.1698 C   0  0  0  0  0
    7.9291    5.0789   -7.5896 C   0  0  0  0  0
    8.3144    5.3865   -6.2787 C   0  0  0  0  0
    6.4978    5.4604   -9.4199 F   0  0  0  0  0
    5.8976    8.0141   -5.5505 F   0  0  0  0  0
    9.7025   -0.7699    1.9469 H   0  0  0  0  0
    9.0972   -2.2395    2.7285 H   0  0  0  0  0
    9.8094   -0.9318    3.7181 H   0  0  0  0  0
    8.4244    1.0514    1.8247 H   0  0  0  0  0
    6.2704    1.6326    3.4990 H   0  0  0  0  0
    5.5893    0.7151    2.1596 H   0  0  0  0  0
    5.5189    1.6654   -0.1193 H   0  0  0  0  0
    5.5917    3.6778   -1.5244 H   0  0  0  0  0
    7.5237    5.8445    1.6620 H   0  0  0  0  0
    7.4361    3.8299    3.0806 H   0  0  0  0  0
    6.0318    6.9298   -0.3519 H   0  0  0  0  0
    6.0213    5.9643   -1.8106 H   0  0  0  0  0
    8.8818    4.7518   -1.3740 H   0  0  0  0  0
    9.7909    6.0942   -1.9992 H   0  0  0  0  0
    9.0575    4.7458   -3.8169 H   0  0  0  0  0
    7.3598    4.7834   -3.3254 H   0  0  0  0  0
    7.5075    8.6420   -3.9758 H   0  0  0  0  0
    6.2838    7.4878   -3.3916 H   0  0  0  0  0
    8.8979    8.3149   -2.0528 H   0  0  0  0  0
    7.2775    8.6440   -1.4904 H   0  0  0  0  0
    5.3866    7.2889   -7.9329 H   0  0  0  0  0
    8.4580    4.3193   -8.1569 H   0  0  0  0  0
    9.1778    4.8606   -5.8806 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL352576

>  <PubChem CID>
10428534

>  <Formula>
C20H23F2N3O

>  <Molecular Weight>
359.421000

>  <IUPAC Name>
N-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)F)F

>  <Isomeric SMILES>
CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)F)F

>  <InChI Std. ID>
InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)

>  <InChI Key>
FQNKXHSTVKSMDH-UHFFFAOYSA-N

