47002124
  -OEChem-06192423212D

 26 27  0     0  0  0  0  0  0999 V2000
    6.8660    1.7990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265    0.6659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -0.9595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -1.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306   -1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6306   -0.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -1.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9737    2.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    2.0111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
47002124

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAGDAAAAAAAAAAAAAAAAAAAAAAAAAAHgIQAAAADSvBgEQAAALAAAAIAAEQEAAAAAAAAAAAAIAIAABAAAIAgABEAAAAFgCAAAEAgAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(dicyclopropylmethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(dicyclopropylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(dicyclopropylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(dicyclopropylmethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(dicyclopropylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(dicyclopropylmethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14ClNO/c10-5-8(12)11-9(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2,(H,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
GHRBQHSEYVRZNP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
187.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
187.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C(C2CC2)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C(C2CC2)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.0763918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$
