(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C20H14FIN2O4 — CID 2274930

IUPAC(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESC=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I
InChIInChI=1S/C20H14FIN2O4/c1-2-9-28-17-8-3-12(11-16(17)22)10-15-18(25)23-20(27)24(19(15)26)14-6-4-13(21)5-7-14/h2-8,10-11H,1,9H2,(H,23,25,27)/b15-10-
InChIKeyAMGAZQZMAKPJKH-GDNBJRDFSA-N
MW492.24 g/mol
LogP3.66
Rot. Bonds5

About (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2274930) has the molecular formula C20H14FIN2O4 and a molecular weight of 492.24 g/mol. Its IUPAC name is (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2274930
Molecular FormulaC20H14FIN2O4
Molecular Weight492.24 g/mol
Exact Mass492.00
IUPAC Name(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESC=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I
InChIInChI=1S/C20H14FIN2O4/c1-2-9-28-17-8-3-12(11-16(17)22)10-15-18(25)23-20(27)24(19(15)26)14-6-4-13(21)5-7-14/h2-8,10-11H,1,9H2,(H,23,25,27)/b15-10-
InChIKeyAMGAZQZMAKPJKH-GDNBJRDFSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(5E)-5-[(3-bromo-5-iodo-4-prop-2-enoxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 124532489
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 124532499
ethyl 2-[4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-iodophenoxy]acetate
CID 124532514
(5E)-1-(4-fluorophenyl)-5-[[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 124532509
5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 2914960
methyl 2-[4-[(Z)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 1359908
(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126115502
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 1323571
(5E)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1359490
(5E)-1-(4-fluorophenyl)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1359636
5-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2899216
(5E)-5-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2284836

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2274930) is (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I.
What is the InChIKey of (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is AMGAZQZMAKPJKH-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H14FIN2O4/c1-2-9-28-17-8-3-12(11-16(17)22)10-15-18(25)23-20(27)24(19(15)26)14-6-4-13(21)5-7-14/h2-8,10-11H,1,9H2,(H,23,25,27)/b15-10-.
What are the key properties of (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 492.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2274930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).