N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide

C19H13N3O5 — CID 16876901

IUPACN-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
SMILESO=C(C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H13N3O5/c23-15(10-13-17(25)21-19(27)22-18(13)26)20-14-9-5-4-8-12(14)16(24)11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,21,22,25,26,27)
InChIKeyOJZGSPDJAMSYLE-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.15
Rot. Bonds4

About N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide

N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide (PubChem CID 16876901) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
PubChem CID16876901
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC NameN-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
SMILESO=C(C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H13N3O5/c23-15(10-13-17(25)21-19(27)22-18(13)26)20-14-9-5-4-8-12(14)16(24)11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,21,22,25,26,27)
InChIKeyOJZGSPDJAMSYLE-UHFFFAOYSA-N
XLogP1.15
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
CID 110615658
5-[(2-benzoylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540797
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide (CID 16876901) is N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide is O=C(C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The InChIKey is OJZGSPDJAMSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-15(10-13-17(25)21-19(27)22-18(13)26)20-14-9-5-4-8-12(14)16(24)11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,21,22,25,26,27).
What are the key properties of N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide has a molecular weight of 363.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide is sourced from PubChem (CID 16876901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).