593011
  -OEChem-06192423162D

 31 32  0     0  0  0  0  0  0999 V2000
    2.0000   -3.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
593011

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
257

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgIQAAAADAPBmEQwAMLAAACIAiFSEAACAAAgAAAIiIAIAIhIICKAkRHEIAAglgCIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[2-(1-naphthyl)ethyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[2-(1-naphthalenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(2-naphthalen-1-ylethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(2-naphthalen-1-ylethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(2-naphthalen-1-ylethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[2-(1-naphthyl)ethyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14ClNO/c15-10-14(17)16-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
MHEKVEIHVYANFA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.8

> <PUBCHEM_EXACT_MASS>
247.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
247.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2CCNC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2CCNC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.0763918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  14  8
11  12  8
13  15  8
14  15  8
4  6  8
4  9  8
6  10  8
6  8  8
8  11  8
8  13  8
9  12  8

$$$$
