SDF/Mol File of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide (C18H21FN2)
Identification of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide Chemical Compound
Chemical Formula | C18H21FN2 |
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Molecular Weight | 284.37114 g/mol |
IUPAC Name | N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide |
SMILES String | CCN(C)C=Nc1ccc(cc1CC)c2ccc(F)cc2 |
InChI | InChI=1S/C18H21FN2/c1-4-14-12-16(15-6-9-17(19)10-7-15)8-11-18(14)20-13-21(3)5-2/h6-13H,4-5H2,1-3H3/b20-13+ |
InChIKey | YVUKUWUXSFMYSC-DEDYPNTBSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide 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-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide 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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Additional Information for Identifying N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide Molecule
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Chemical structure of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide is available in chemical structure page of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide, 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-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide
The molecular weight of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide is available in molecular weight page of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide, 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-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide
The chemical formula of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide is given in chemical formula page of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide, 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-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide is:
InChI=1S/C18H21FN2/c1-4-14-12-16(15-6-9-17(19)10-7-15)8-11-18(14)20-13-21(3)5-2/h6-13H,4-5H2,1-3H3/b20-13+
It can provide a standard way to encode the molecular information of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide 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-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide is:
InChIKey=YVUKUWUXSFMYSC-DEDYPNTBSA-N
The InChIKey may allow easier web searches for N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide, but it needs to be linked to the full InChI to get back to the original structure of the N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide
The N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide including the registry numbers are listed below, if available:
None available.
N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide Identification Summary Frequently Asked Questions (FAQs)
What’s the N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide formula? |
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C18H21FN2 |
How many atoms and what elements are included in the N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide molecule? |
42 atom(s) - 21 Hydrogen atom(s), 18 Carbon atom(s), 2 Nitrogen atom(s), and 1 Fluorine atom(s) |
How many chemical bonds and what kind of bonds are in the N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide structure? |
43 bond(s) - 22 non-H bond(s), 13 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 amidine derivative(s), and 1 tertiary amine(s) (aliphatic) |
What’s the N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide’s molar mass? |
284.37114 g/mol |
What’s the SMILES structure of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide? |
CCN(C)C=Nc1ccc(cc1CC)c2ccc(F)cc2 |
What’s the InChI code of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide? |
InChI=1S/C18H21FN2/c1-4-14-12-16(15-6-9-17(19)10-7-15)8-11-18(14)20-13-21(3)5-2/h6-13H,4-5H2,1-3H3/b20-13+ |
What’s the InChIKey format of N-ethyl-N'-[2-ethyl-4-(4-fluorophenyl)phenyl]-N-methylmethanimidamide? |
YVUKUWUXSFMYSC-DEDYPNTBSA-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).