5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C19H15FN2O4 — CID 2849661

IUPAC5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15FN2O4/c1-2-19(13-6-4-3-5-7-13)16(24)21-18(26)22(17(19)25)15(23)12-8-10-14(20)11-9-12/h3-11H,2H2,1H3,(H,21,24,26)
InChIKeyXJNXRSOVTSTDDT-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.39
Rot. Bonds3

About 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione

5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2849661) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID2849661
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15FN2O4/c1-2-19(13-6-4-3-5-7-13)16(24)21-18(26)22(17(19)25)15(23)12-8-10-14(20)11-9-12/h3-11H,2H2,1H3,(H,21,24,26)
InChIKeyXJNXRSOVTSTDDT-UHFFFAOYSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzonal
CID 12938
5,5-Diphenylbarbituric acid
CID 46484
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
CID 166340
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(phenylmethyl)-
CID 304583
Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-
CID 120657
F-B 1 (Pharmaceutical)
CID 23703984
5-(4-Fluorophenyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 19627
Barbituric acid, 5-allyl-1-benzyl-5-phenyl-
CID 52169
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(methoxymethyl)-5-phenyl-3-(phenylmethyl)-
CID 3039620
Barbituric acid, 5,5-diphenyl-, sodium salt
CID 23678394
3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334232
N-Ethyl-3-(3-{[(2-fluorophenyl)methyl]carbamoyl}phenyl)piperidine-1-carboxamide
CID 50788857

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 2849661) is 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XJNXRSOVTSTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-2-19(13-6-4-3-5-7-13)16(24)21-18(26)22(17(19)25)15(23)12-8-10-14(20)11-9-12/h3-11H,2H2,1H3,(H,21,24,26).
What are the key properties of 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 354.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2849661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).