SDF/Mol File of N-acetyl-N-(anthracen-9-yl)acetamide (C18H15NO2)
Identification of N-acetyl-N-(anthracen-9-yl)acetamide Chemical Compound
Chemical Formula | C18H15NO2 |
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Molecular Weight | 277.3172 g/mol |
IUPAC Name | N-acetyl-N-(anthracen-9-yl)acetamide |
SMILES String | CC(=O)N(C(C)=O)c2c1ccccc1cc3ccccc23 |
InChI | InChI=1S/C18H15NO2/c1-12(20)19(13(2)21)18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1-2H3 |
InChIKey | DBUAUQKEYDBBQL-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-acetyl-N-(anthracen-9-yl)acetamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-acetyl-N-(anthracen-9-yl)acetamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-acetyl-N-(anthracen-9-yl)acetamide Molecule
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Chemical structure of N-acetyl-N-(anthracen-9-yl)acetamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-acetyl-N-(anthracen-9-yl)acetamide is available in chemical structure page of N-acetyl-N-(anthracen-9-yl)acetamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N-acetyl-N-(anthracen-9-yl)acetamide
The molecular weight of N-acetyl-N-(anthracen-9-yl)acetamide is available in molecular weight page of N-acetyl-N-(anthracen-9-yl)acetamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N-acetyl-N-(anthracen-9-yl)acetamide
The chemical formula of N-acetyl-N-(anthracen-9-yl)acetamide is given in chemical formula page of N-acetyl-N-(anthracen-9-yl)acetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-acetyl-N-(anthracen-9-yl)acetamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-acetyl-N-(anthracen-9-yl)acetamide is:
InChI=1S/C18H15NO2/c1-12(20)19(13(2)21)18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1-2H3
It can provide a standard way to encode the molecular information of N-acetyl-N-(anthracen-9-yl)acetamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-acetyl-N-(anthracen-9-yl)acetamide is:
InChIKey=DBUAUQKEYDBBQL-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-acetyl-N-(anthracen-9-yl)acetamide, but it needs to be linked to the full InChI to get back to the original structure of the N-acetyl-N-(anthracen-9-yl)acetamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-acetyl-N-(anthracen-9-yl)acetamide
The N-acetyl-N-(anthracen-9-yl)acetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-acetyl-N-(anthracen-9-yl)acetamide including the registry numbers are listed below, if available:
None available.
N-acetyl-N-(anthracen-9-yl)acetamide Identification Summary Frequently Asked Questions (FAQs)
What’s the N-acetyl-N-(anthracen-9-yl)acetamide formula? |
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C18H15NO2 |
How many atoms and what elements are included in the N-acetyl-N-(anthracen-9-yl)acetamide molecule? |
36 atom(s) - 15 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the N-acetyl-N-(anthracen-9-yl)acetamide structure? |
38 bond(s) - 23 non-H bond(s), 18 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 16 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), and 1 imide(s) (-thio) |
What’s the N-acetyl-N-(anthracen-9-yl)acetamide’s molar mass? |
277.3172 g/mol |
What’s the SMILES structure of N-acetyl-N-(anthracen-9-yl)acetamide? |
CC(=O)N(C(C)=O)c2c1ccccc1cc3ccccc23 |
What’s the InChI code of N-acetyl-N-(anthracen-9-yl)acetamide? |
InChI=1S/C18H15NO2/c1-12(20)19(13(2)21)18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1-2H3 |
What’s the InChIKey format of N-acetyl-N-(anthracen-9-yl)acetamide? |
DBUAUQKEYDBBQL-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).