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SDF/Mol File of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide (C17H14Cl2N2O3)

Identification of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide Chemical Compound

2D chemical structure image of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide
Chemical Formula C17H14Cl2N2O3
Molecular Weight 365.21066 g/mol
IUPAC Name 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide
SMILES String Clc3ccc(CCC(=O)Nc1cccc2NC(=O)COc12)cc3Cl
InChI InChI=1S/C17H14Cl2N2O3/c18-11-6-4-10(8-12(11)19)5-7-15(22)20-13-2-1-3-14-17(13)24-9-16(23)21-14/h1-4,6,8H,5,7,9H2,(H,20,22)(H,21,23)
InChIKey HIJNFDNAKANEPU-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide 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 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide 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 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide
Ball-and-stick model of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide Molecule

  • Other names (synonyms) or registry numbers of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide

    The 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide including the registry numbers are listed below, if available:



    None available.


3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide formula?
C17H14Cl2N2O3
How many atoms and what elements are included in the 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide molecule?
38 atom(s) - 14 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide structure?
40 bond(s) - 26 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 ether(s) (aromatic)
What’s the 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide’s molar mass?
365.21066 g/mol
What’s the SMILES structure of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide?
Clc3ccc(CCC(=O)Nc1cccc2NC(=O)COc12)cc3Cl
What’s the InChI code of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide?
InChI=1S/C17H14Cl2N2O3/c18-11-6-4-10(8-12(11)19)5-7-15(22)20-13-2-1-3-14-17(13)24-9-16(23)21-14/h1-4,6,8H,5,7,9H2,(H,20,22)(H,21,23)
What’s the InChIKey format of 3-(3,4-dichlorophenyl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)propanamide?
HIJNFDNAKANEPU-UHFFFAOYSA-N

28 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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