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SDF/Mol File 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide 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-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide 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.

3D chemical structure image 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

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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

  • 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide including the registry numbers are listed 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 N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide formula?
C23H29FN2O2
How many atoms and what elements are included in the N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide molecule?
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 kind of bonds are 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 N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide’s molar mass?
384.486963 g/mol
What’s the SMILES structure 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 code 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 format of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
NCKCPJOAEBRBQW-UHFFFAOYSA-N

34 The contents of this page can freely be shared if cited as follows:
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).

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