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SDF/Mol File of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide (C19H20ClFN2O2)

Identification of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide Chemical Compound

2D chemical structure image of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide
Chemical Formula C19H20ClFN2O2
Molecular Weight 362.825703 g/mol
IUPAC Name N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide
SMILES String CC(C)(CC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1)c2ccccc2
InChI InChI=1S/C19H20ClFN2O2/c1-19(2,13-6-4-3-5-7-13)11-17(24)22-12-18(25)23-14-8-9-16(21)15(20)10-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKey FWCMDYNXARTCPV-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide 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-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide 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-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide
Ball-and-stick model of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide

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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 N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide Molecule

  • Other names (synonyms) or registry numbers of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide

    The N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide including the registry numbers are listed below, if available:



    None available.


N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide formula?
C19H20ClFN2O2
How many atoms and what elements are included in the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide molecule?
45 atom(s) - 20 Hydrogen atom(s), 19 Carbon atom(s), 2 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 in the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide structure?
46 bond(s) - 26 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 2 secondary amide(s) (aliphatic)
What’s the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide’s molar mass?
362.825703 g/mol
What’s the SMILES structure of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?
CC(C)(CC(=O)NCC(=O)Nc1ccc(F)c(Cl)c1)c2ccccc2
What’s the InChI code of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?
InChI=1S/C19H20ClFN2O2/c1-19(2,13-6-4-3-5-7-13)11-17(24)22-12-18(25)23-14-8-9-16(21)15(20)10-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
What’s the InChIKey format of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?
FWCMDYNXARTCPV-UHFFFAOYSA-N

30 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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