60364348
  -OEChem-04242406512D

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    6.4763    0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6279   -3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1279   -2.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9982    3.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8338    3.8605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -1.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -0.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2233    1.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402    0.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046   -0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    3.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008    2.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    1.5221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    1.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2837    2.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -4.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    4.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694    4.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220    3.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3179   -4.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -4.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -2.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60364348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADIiBnggywPLJkACoAyVyVACCgCAhAiAImSEwZJgIIPLAkZGEIAhglADIyAcYicCegAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,1-dimethylpropyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(2-methylbutan-2-yl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(5-fluoro-2-phenyl-1<I>H</I>-indol-3-yl)-<I>N</I>-(2-methylbutan-2-yl)propanamide

> <PUBCHEM_IUPAC_NAME>
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(2-methylbutan-2-yl)propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)-N-(2-methylbutan-2-yl)propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-tert-amyl-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H25FN2O/c1-4-22(2,3)25-20(26)13-11-17-18-14-16(23)10-12-19(18)24-21(17)15-8-6-5-7-9-15/h5-10,12,14,24H,4,11,13H2,1-3H3,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
PWPHRDGXPKOZRF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
352.19509159

> <PUBCHEM_MOLECULAR_FORMULA>
C22H25FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)(C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)F)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)(C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)F)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
44.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.19509159

> <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>
12  15  8
12  18  8
15  19  8
17  22  8
17  23  8
18  20  8
19  21  8
20  21  8
22  24  8
23  25  8
24  26  8
25  26  8
4  13  8
4  15  8
7  12  8
7  13  8

$$$$