(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

C19H16ClFN2O4 — CID 1319896

IUPAC(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O4/c1-2-26-16-9-12(8-15-18(24)23-19(25)22-15)7-14(20)17(16)27-10-11-3-5-13(21)6-4-11/h3-9H,2,10H2,1H3,(H2,22,23,24,25)/b15-8+
InChIKeyPKACNPOIXRYCTD-OVCLIPMQSA-N
MW390.80 g/mol
LogP3.64
Rot. Bonds6

About (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 1319896) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID1319896
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O4/c1-2-26-16-9-12(8-15-18(24)23-19(25)22-15)7-14(20)17(16)27-10-11-3-5-13(21)6-4-11/h3-9H,2,10H2,1H3,(H2,22,23,24,25)/b15-8+
InChIKeyPKACNPOIXRYCTD-OVCLIPMQSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126026969
5-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1340694
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126019229
(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126053946
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103566
(5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 1329690
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3264930
(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 46499331
(5E)-5-[[3-ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]imidazolidine-2,4-dione
CID 126062878
4-[[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 1334608
4-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 4068062
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377806

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 1319896) is (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is PKACNPOIXRYCTD-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-2-26-16-9-12(8-15-18(24)23-19(25)22-15)7-14(20)17(16)27-10-11-3-5-13(21)6-4-11/h3-9H,2,10H2,1H3,(H2,22,23,24,25)/b15-8+.
What are the key properties of (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 390.80 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1319896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).