14511503
  -OEChem-06192423182D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000   -3.0173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.1250    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  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  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 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  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>
14511503

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgIQAAAADCvBmEQyAMLAAACIAiFSEACCAAAgAAAIiIAIBIhIICKAkRHEIAhglgCIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14ClNO/c1-10(16-14(17)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
FACKLPCSVDLOKS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
247.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
247.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC(=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>
1

> <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  8  3
5  6  8
5  9  8
6  10  8
6  7  8
7  11  8
7  13  8
9  12  8

$$$$
