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SDF/Mol File of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide (C19H18ClNO3)

Identification of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Chemical Compound

2D chemical structure image of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
Chemical Formula C19H18ClNO3
Molecular Weight 343.80412 g/mol
IUPAC Name N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
SMILES String Clc1ccc(cc1)C(C2CC2)C(=O)NCc4ccc3OCOc3c4
InChI InChI=1S/C19H18ClNO3/c20-15-6-4-14(5-7-15)18(13-2-3-13)19(22)21-10-12-1-8-16-17(9-12)24-11-23-16/h1,4-9,13,18H,2-3,10-11H2,(H,21,22)
InChIKey XNHXGGSWTZBIFB-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide 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-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide 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-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
Ball-and-stick model of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Molecule

  • Other names (synonyms) or registry numbers of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide

    The N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide including the registry numbers are listed below, if available:



    None available.


N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide formula?
C19H18ClNO3
How many atoms and what elements are included in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide molecule?
42 atom(s) - 18 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide structure?
45 bond(s) - 27 non-H bond(s), 13 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide’s molar mass?
343.80412 g/mol
What’s the SMILES structure of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
Clc1ccc(cc1)C(C2CC2)C(=O)NCc4ccc3OCOc3c4
What’s the InChI code of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
InChI=1S/C19H18ClNO3/c20-15-6-4-14(5-7-15)18(13-2-3-13)19(22)21-10-12-1-8-16-17(9-12)24-11-23-16/h1,4-9,13,18H,2-3,10-11H2,(H,21,22)
What’s the InChIKey format of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
XNHXGGSWTZBIFB-UHFFFAOYSA-N

29 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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