Home Chemical Formula N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide

Chemical Formula 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

Chemical Formula Description

The N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide molecule contains a total of 45 atom(s). There are 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). A chemical formula of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide can therefore be written as:

C19H20ClFN2O2

The chemical formula of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide 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-{[(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

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


  • InChI (IUPAC International Chemical Identifier) information of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide is:

    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)

    It can provide a standard way to encode the molecular information of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide 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-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide is:

    InChIKey=FWCMDYNXARTCPV-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide including the registry numbers is given 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 chemical formula of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?

    C19H20ClFN2O2
  • How many atoms and what are they in the N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide structure?

    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 are they 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 molecular weight of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?

    362.825703 g/mol
  • What’s the SMILES string 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 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 of N-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-3-methyl-3-phenylbutanamide?

    FWCMDYNXARTCPV-UHFFFAOYSA-N

1 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.