N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide

C24H17N3O4 — CID 18408786

IUPACN-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide
SMILESO=C1NC(=O)C(NC(=O)c2cccc3c2Cc2ccccc2-3)(c2ccccc2)C(=O)N1
InChIInChI=1S/C24H17N3O4/c28-20(18-12-6-11-17-16-10-5-4-7-14(16)13-19(17)18)27-24(15-8-2-1-3-9-15)21(29)25-23(31)26-22(24)30/h1-12H,13H2,(H,27,28)(H2,25,26,29,30,31)
InChIKeyJUJRYBUJPBGLTE-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.25
Rot. Bonds3

About N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide

N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide (PubChem CID 18408786) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide
PubChem CID18408786
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC NameN-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide
SMILESO=C1NC(=O)C(NC(=O)c2cccc3c2Cc2ccccc2-3)(c2ccccc2)C(=O)N1
InChIInChI=1S/C24H17N3O4/c28-20(18-12-6-11-17-16-10-5-4-7-14(16)13-19(17)18)27-24(15-8-2-1-3-9-15)21(29)25-23(31)26-22(24)30/h1-12H,13H2,(H,27,28)(H2,25,26,29,30,31)
InChIKeyJUJRYBUJPBGLTE-UHFFFAOYSA-N
XLogP2.25
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide?
The IUPAC name of N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide (CID 18408786) is N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide?
The canonical SMILES for N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide is O=C1NC(=O)C(NC(=O)c2cccc3c2Cc2ccccc2-3)(c2ccccc2)C(=O)N1.
What is the InChIKey of N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide?
The InChIKey is JUJRYBUJPBGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-20(18-12-6-11-17-16-10-5-4-7-14(16)13-19(17)18)27-24(15-8-2-1-3-9-15)21(29)25-23(31)26-22(24)30/h1-12H,13H2,(H,27,28)(H2,25,26,29,30,31).
What are the key properties of N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide?
N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 18408786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).