Ketcher 04191711392D 1   1.00000     0.00000     0

 17 19  0     0  0            999 V2000
   17.2054  -29.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5363  -30.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1836  -29.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8964  -28.8240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9621  -28.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9621  -28.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6530  -29.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2710  -29.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4621  -29.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2929  -27.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6311  -27.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6748  -29.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492  -29.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6093  -27.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3147  -27.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9182  -28.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0057  -28.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  4  1  1  0     0  0
  3  1  1  0     0  0
 16  4  1  0     0  0
  6  5  1  0     0  0
  8  5  1  0     0  0
 11  5  2  0     0  0
  7  6  1  0     0  0
 10  6  2  0     0  0
  9  7  1  0     0  0
 12  7  2  0     0  0
  9  8  1  0     0  0
 13  8  2  0     0  0
 15 10  1  0     0  0
 14 11  1  0     0  0
 17 12  1  0     0  0
 16 13  1  0     0  0
 16 14  2  0     0  0
 17 15  2  0     0  0
M  END
> <ID>
CHEBI:17356

> <NAME>
2-acetamidofluorene

> <DEFINITION>
The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40645; CHEBI:11494; CHEBI:981; CHEBI:19431

> <SYNONYM>
N-fluoren-2-ylacetamide; N-Acetyl-2-aminofluorene; N-2-Fluorenylacetamide; 2-FAA; 2-ACETYLAMINOFLUORENE-3-YL; 2-Acetylaminofluorene; 2-Acetoaminofluorene; 2-Acetaminofluorene; 2-acetamidofluorene; 2-Acetamidofluorene; 2-AAF; 2-(Acetylamino)fluorene

> <IUPAC_NAME>
N-(9H-fluoren-2-yl)acetamide

> <FORMULA>
C15H13NO; C15H13NO

> <MASS>
223.270

> <MONOISOTOPIC_MASS>
223.09971

> <CHARGE>
0

> <SMILES>
C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C

> <INCHI>
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)

> <INCHIKEY>
CZIHNRWJTSTCEX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2807677

> <CAS_REGISTRY_NUMBER>
53-96-3

> <REAXYS_REGISTRY_NUMBER>
2807677

> <CHEMIDPLUS>
53-96-3

> <KEGG_COMPOUND_ACCESSION>
C02778

> <LINCS_ACCESSION>
LSM-37153

> <NIST_CHEMISTRY_WEBBOOK>
53-96-3

> <PDBECHEM_ACCESSION>
AFF

> <WIKIPEDIA_ACCESSION>
2-Acetylaminofluorene

> <PUBMED_CITATION>
15380103; 17434228; 21417629; 21668357; 22514719; 23536516; 24021430; 7151044

$$$$