N-(1-Ethyl-hexahydro-5-methyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide

HCID 24765666

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCN1C(=O)NC(=O)C(C)(NC(=O)c2cc(F)c(F)c(F)c2F)C1=O
InChIKey: IYNNGPHESPKJKC-UHFFFAOYSA-N
Molecular formula: C14H11F4N3O4
Average molar mass: 361.25 g/mol

Names & identifiers

Preferred name: N-(1-Ethyl-hexahydro-5-methyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide
IUPAC: N-(1-ethyl-5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,3,4,5-tetrafluorobenzamide

Names & synonyms

SCHEMBL825882IYNNGPHESPKJKC-UHFFFAOYSA-NN-(1-Ethyl-hexahydro-5-methyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide

Database identifiers

PubChem CID: 24765666

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 95.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 619

Related reactions

8 records

New reaction record

HRID 178955As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1097279As productuspto-grants-2012_03

HRID 1097280As reactantuspto-grants-2012_03

HRID 1097281As reactantuspto-grants-2012_03

HRID 1097282As reactantuspto-grants-2012_03

HRID 1097283As reactantuspto-grants-2012_03

HRID 2133164As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2317937As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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