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

C26H19FN2O5 — CID 41003640

IUPAC(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cccc(F)c2)C1=O
InChIInChI=1S/C26H19FN2O5/c1-2-26(19-13-7-4-8-14-19)23(32)28(21(30)17-10-5-3-6-11-17)25(34)29(24(26)33)22(31)18-12-9-15-20(27)16-18/h3-16H,2H2,1H3/t26-/m1/s1
InChIKeyIFCKVFSLABSWPK-AREMUKBSSA-N
MW458.45 g/mol
LogP3.95
Rot. Bonds4

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

(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 41003640) has the molecular formula C26H19FN2O5 and a molecular weight of 458.45 g/mol. Its IUPAC name is (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID41003640
Molecular FormulaC26H19FN2O5
Molecular Weight458.45 g/mol
Exact Mass458.13
IUPAC Name(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cccc(F)c2)C1=O
InChIInChI=1S/C26H19FN2O5/c1-2-26(19-13-7-4-8-14-19)23(32)28(21(30)17-10-5-3-6-11-17)25(34)29(24(26)33)22(31)18-12-9-15-20(27)16-18/h3-16H,2H2,1H3/t26-/m1/s1
InChIKeyIFCKVFSLABSWPK-AREMUKBSSA-N
XLogP3.95
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 165342736
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(5R)-7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050759
7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5073728
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone
CID 156601763
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 41003640) is (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cccc(F)c2)C1=O.
What is the InChIKey of (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IFCKVFSLABSWPK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H19FN2O5/c1-2-26(19-13-7-4-8-14-19)23(32)28(21(30)17-10-5-3-6-11-17)25(34)29(24(26)33)22(31)18-12-9-15-20(27)16-18/h3-16H,2H2,1H3/t26-/m1/s1.
What are the key properties of (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 458.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 41003640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).