3241723
  -OEChem-04252404442D

 45 47  0     0  0  0  0  0  0999 V2000
    4.7752    6.3533    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    2.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    3.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5942    4.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954    3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819    5.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    4.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1765    5.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505    1.5486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    2.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    1.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -6.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    4.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2476    3.0462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1998    4.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    5.8368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 33  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  2  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3241723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgIQAAAACA6hkCYyxoPABECIAKVSUAKCCAAlJwAIiAHObsgPJjLFt7+HOSjk1BHa6YeYfw5gAACAAQAAAAAAAQACAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(3-chlorophenoxy)methyl]-<I>N</I>-[4-(dimethylamino)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(3-chloranylphenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(3-chlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19ClN2O3/c1-23(2)16-8-6-15(7-9-16)22-20(24)19-11-10-18(26-19)13-25-17-5-3-4-14(21)12-17/h3-12H,13H2,1-2H3,(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BZEQRMREWARERO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
370.1084202

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
370.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.1084202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
10  13  8
11  14  8
12  18  8
17  18  8
2  12  8
2  9  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
7  10  8
7  11  8
8  13  8
8  14  8
9  17  8

$$$$