5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione

C19H13FN2O3 — CID 917325

IUPAC5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2F)C(=O)C1=CC=Cc1ccccc1
InChIInChI=1S/C19H13FN2O3/c20-15-11-4-5-12-16(15)22-18(24)14(17(23)21-19(22)25)10-6-9-13-7-2-1-3-8-13/h1-12H,(H,21,23,25)
InChIKeyRXXCIPADXRALFH-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.05
Rot. Bonds3

About 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione

5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 917325) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID917325
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2F)C(=O)C1=CC=Cc1ccccc1
InChIInChI=1S/C19H13FN2O3/c20-15-11-4-5-12-16(15)22-18(24)14(17(23)21-19(22)25)10-6-9-13-7-2-1-3-8-13/h1-12H,(H,21,23,25)
InChIKeyRXXCIPADXRALFH-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-1-(2-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1387099
5-cinnamylidene-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 741459
1-(2-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 703498
(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
CID 59072178
(5Z)-1-(3-chloro-4-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 2301032
5-cinnamylidene-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1329065
(5E)-1-(2-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5291613
2-[4-[[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
CID 1036261
1-(2-fluorophenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3579251
1-(2-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2898698
5-cinnamylidene-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 878109
(5E)-1-(3-chloro-2-methylphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 126237272

Frequently Asked Questions

What is the IUPAC name of 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (CID 917325) is 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CC=Cc1ccccc1.
What is the InChIKey of 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is RXXCIPADXRALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-15-11-4-5-12-16(15)22-18(24)14(17(23)21-19(22)25)10-6-9-13-7-2-1-3-8-13/h1-12H,(H,21,23,25).
What are the key properties of 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 336.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 917325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).