
 N-[2-(4-chlorophenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.6666    1.0236    4.6436 C   0  0  0  0  0
    0.4307    0.3666    5.4641 C   0  0  0  0  0
    1.1610   -0.5781    4.6714 O   0  0  0  0  0
    1.4584   -0.0734    3.4306 C   0  0  0  0  0
    0.8624    1.0805    2.9097 C   0  0  0  0  0
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    1.2435    1.5601    1.6591 C   0  0  0  0  0
    2.1826    0.8543    0.9043 C   0  0  0  0  0
    2.7407   -0.3343    1.3981 C   0  0  0  0  0
    2.3925   -0.7849    2.6770 C   0  0  0  0  0
    3.6946   -1.0733    0.5268 C   0  0  0  0  0
    4.3296   -0.4802   -0.3380 O   0  0  0  0  0
    3.7849   -2.4372    0.7209 N   0  0  0  0  0
    4.6774   -3.2550   -0.0815 C   0  0  0  0  0
    6.1445   -3.0944    0.3217 C   0  0  0  0  0
    6.3409   -3.7332    1.5902 O   0  0  0  0  0
    7.6257   -3.7584    2.0590 C   0  0  0  0  0
    8.6525   -2.8992    1.6624 C   0  0  0  0  0
    9.9265   -3.0200    2.2274 C   0  0  0  0  0
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    9.1508   -4.8518    3.5981 C   0  0  0  0  0
    7.8779   -4.7247    3.0369 C   0  0  0  0  0
   11.7413   -4.1479    3.8756 Cl  0  0  0  0  0
   -1.2539    1.7034    5.2685 H   0  0  0  0  0
   -1.3487    0.2790    4.2139 H   0  0  0  0  0
   -0.0030   -0.1767    6.3092 H   0  0  0  0  0
    1.1357    1.1085    5.8584 H   0  0  0  0  0
    0.7979    2.4683    1.2641 H   0  0  0  0  0
    2.4664    1.2233   -0.0795 H   0  0  0  0  0
    2.8522   -1.6657    3.1137 H   0  0  0  0  0
    3.2240   -2.8989    1.4219 H   0  0  0  0  0
    4.5471   -2.9703   -1.1310 H   0  0  0  0  0
    4.3522   -4.2931    0.0462 H   0  0  0  0  0
    6.3996   -2.0316    0.3828 H   0  0  0  0  0
    6.7727   -3.5876   -0.4299 H   0  0  0  0  0
    8.4932   -2.1147    0.9300 H   0  0  0  0  0
   10.7185   -2.3441    1.9154 H   0  0  0  0  0
    9.3358   -5.6139    4.3496 H   0  0  0  0  0
    7.0793   -5.3891    3.3577 H   0  0  0  0  0
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  1  6  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
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M  END

>  <Chemical Name>
N-[2-(4-chlorophenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

>  <PubChem CID>
9117976

>  <Formula>
C17H16ClNO4

>  <Molecular Weight>
333.768000

>  <IUPAC Name>
N-[2-(4-chlorophenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC2=C(O1)C=CC(=C2)C(=O)NCCOC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1COC2=C(O1)C=CC(=C2)C(=O)NCCOC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C17H16ClNO4/c18-13-2-4-14(5-3-13)21-8-7-19-17(20)12-1-6-15-16(11-12)23-10-9-22-15/h1-6,11H,7-10H2,(H,19,20)

>  <InChI Key>
AAUFWSJPLWPFDI-UHFFFAOYSA-N

