Structure & Deep Data of Clanfenur (C16H15ClFN3O2)
Identification of Clanfenur Chemical Compound
| Chemical Formula | C16H15ClFN3O2 |
|---|---|
| Molecular Weight | 335.7606 g/mol |
| IUPAC Name | 1-(4-chlorophenyl)-3-{[2-(dimethylamino)-6-fluorophenyl]carbonyl}urea |
| SMILES String | CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 |
| InChI | InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23) |
| InChIKey | SRLPZQAEBMZCIJ-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Clanfenur molecule contains a total of 39 bond(s). There are 24 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 1 tertiary amine(s) (aromatic), and 1 imide(s) (-thio). Images of the chemical structure of Clanfenur are given below:
The 2D chemical structure image of Clanfenur is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Clanfenur are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Clanfenur is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Clanfenur. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Clanfenur is provided here.
The Clanfenur molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Clanfenur molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Clanfenur can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- Name: ethanol
- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Clanfenur Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Clanfenur
The SMILES string of Clanfenur is CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Clanfenur.
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Structure Data File (SDF/MOL File) of Clanfenur
The structure data file (SDF/MOL File) of Clanfenur is available for download in the SDF page of Clanfenur, which provides the information about the atoms, bonds, connectivity and coordinates of Clanfenur. The Clanfenur structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Clanfenur
The molecular formula of Clanfenur is available in chemical formula page of Clanfenur, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Clanfenur
The molecular weight of Clanfenur is available in molecular weight page of Clanfenur, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Clanfenur
The Clanfenur compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Clanfenur including the various registry numbers, if available:
- KAM54NKT1Q
- Clanfenur (INN)
- Clanfenurum [Latin]
- n-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide
- 1-(4-CHLOROPHENYL)-3-[2-(DIMETHYLAMINO)-6-FLUOROBENZOYL]UREA
- Clanfenurum
- 51213-99-1
- Clanfenur
- CCG-35671
- AR-1K3113
Clanfenur Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Clanfenur? |
|---|
| C16H15ClFN3O2 |
| How many atoms and what are the elements included the Clanfenur molecule? |
| 38 atom(s) - 15 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Fluorine atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what kind of bonds are included the Clanfenur structure? |
| 39 bond(s) - 24 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 1 tertiary amine(s) (aromatic), and 1 imide(s) (-thio) |
| What’s the Clanfenur’s molecular weight? |
| 335.7606 g/mol |
| What’s the SMILES code of Clanfenur? |
| CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 |
| What’s the InChI string of Clanfenur? |
| InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23) |
| What’s the InChIKey code of Clanfenur? |
| SRLPZQAEBMZCIJ-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).