Home Chemical Formula N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

Chemical Formula of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide (C23H29FN2O2)

Identification of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide Chemical Compound

2D chemical structure image of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
Chemical Formula C23H29FN2O2
Molecular Weight 384.486963 g/mol
IUPAC Name N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILES String CCc1ccc(cc1)C(CNC(=O)CCCC(=O)c2ccc(F)cc2)N(C)C
InChI InChI=1S/C23H29FN2O2/c1-4-17-8-10-18(11-9-17)21(26(2)3)16-25-23(28)7-5-6-22(27)19-12-14-20(24)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,25,28)
InChIKey NCKCPJOAEBRBQW-UHFFFAOYSA-N

Chemical Formula Description

The N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide molecule contains a total of 57 atom(s). There are 29 Hydrogen atom(s), 23 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Fluorine atom(s). A chemical formula of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide can therefore be written as:

C23H29FN2O2

The chemical formula of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
Ball-and-stick model of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

Additional Information for Identifying N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide Molecule


  • InChI (IUPAC International Chemical Identifier) information of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide is:

    InChI=1S/C23H29FN2O2/c1-4-17-8-10-18(11-9-17)21(26(2)3)16-25-23(28)7-5-6-22(27)19-12-14-20(24)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,25,28)

    It can provide a standard way to encode the molecular information of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide 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-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide is:

    InChIKey=NCKCPJOAEBRBQW-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

    The N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide including the registry numbers is given below, if available:



    None available.


N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
C23H29FN2O2
How many atoms and what are they in the N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide structure?
57 atom(s) – 29 Hydrogen atom(s), 23 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Fluorine atom(s)
How many chemical bonds and what are they in the N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide structure?
58 bond(s) – 29 non-H bond(s), 14 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic) and 1 tertiary amine(s) (aliphatic)
What’s the molecular weight of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
384.486963 g/mol
What’s the SMILES string of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
CCc1ccc(cc1)C(CNC(=O)CCCC(=O)c2ccc(F)cc2)N(C)C
What’s the InChI of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
InChI=1S/C23H29FN2O2/c1-4-17-8-10-18(11-9-17)21(26(2)3)16-25-23(28)7-5-6-22(27)19-12-14-20(24)15-13-19/h8-15,21H,4-7,16H2,1-3H3,(H,25,28)
What’s the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
NCKCPJOAEBRBQW-UHFFFAOYSA-N

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