SDF/Mol File of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide (C22H29ClN2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide Molecule

• Chemical structure of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide is available in chemical structure page of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide

  The molecular weight of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide is available in molecular weight page of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide

  The chemical formula of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide is given in chemical formula page of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide is:

  InChI=1S/C22H29ClN2O2/c23-17-12-10-16(11-13-17)20(15-8-9-15)22(27)25-14-4-7-19(25)21(26)24-18-5-2-1-3-6-18/h10-13,15,18-20H,1-9,14H2,(H,24,26)/t19-,20?/m0/s1

  It can provide a standard way to encode the molecular information of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide 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 (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide is:

  InChIKey=OPONKNZCRUUGQU-XJDOXCRVSA-N

  The InChIKey may allow easier web searches for (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide

  The (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide including the registry numbers are listed below, if available:

  
  
  None available.

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(2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide formula?
C22H29ClN2O2
How many atoms and what elements are included in the (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide molecule?
56 atom(s) - 29 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide structure?
59 bond(s) - 30 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), and 1 Pyrrolidine(s)
What’s the (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide’s molar mass?
388.93086 g/mol
What’s the SMILES structure of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide?
Clc1ccc(cc1)C(C2CC2)C(=O)N3CCCC3C(=O)NC4CCCCC4
What’s the InChI code of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide?
InChI=1S/C22H29ClN2O2/c23-17-12-10-16(11-13-17)20(15-8-9-15)22(27)25-14-4-7-19(25)21(26)24-18-5-2-1-3-6-18/h10-13,15,18-20H,1-9,14H2,(H,24,26)/t19-,20?/m0/s1
What’s the InChIKey format of (2S)-1-[2-(4-chlorophenyl)-2-cyclopropylacetyl]-N-cyclohexylpyrrolidine-2-carboxamide?
OPONKNZCRUUGQU-XJDOXCRVSA-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).