N-(3-Methoxy-9H-fluoren-2-yl)acetamide | C16H15NO2 | MD Topology | NMR | X-Ray

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Molecule Information
Molecule Typeheteromolecule
Residue Name (RNME)4YOJ
FormulaC16H15NO2
IUPAC InChI Key
UTZPUKWFYZKODS-UHFFFAOYSA-N
IUPAC InChI
InChI=1S/C16H15NO2/c1-10(18)17-15-8-12-7-11-5-3-4-6-13(11)14(12)9-16(15)19-2/h3-6,8-9H,7H2,1-2H3,(H,17,18)
IUPAC Name
N-(3-methoxy-9H-fluoren-2-yl)acetamide
Common NameN-(3-Methoxy-9H-fluoren-2-yl)acetamide
Canonical SMILES (Daylight)
COc1cc2c(cc1NC(=O)C)Cc1c2cccc1
Number of atoms34
Net Charge0
Forcefieldmultiple
Molecule ID266695
ChemSpider ID8439745
ChEMBL ID 83223
Visibility Public
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QM Processing Stage

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Processing Stage Template Semi-Empirical QM (QM0) DFT QM (QM1) DFT Hessian QM (QM2)
Calculation None Energy Minization Energy Minization Hessian
Level of Theory None Semi-Empirical / SCF DFT (B3LYP/6-31G*) DFT (B3LYP/6-31G*)
Default Size Limit (Atoms) 2000 500 50 40
Content of MD Topology
Charges Derived From None MOPAC Merz-Singh-Kollman Merz-Singh-Kollman
Geometry  User Provided Optimized Optimized Optimized
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Current Processing StateCompleted
Total Processing Time34 days, 22:59:59 (hh:mm:ss)

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