(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

C21H21FN2O4 — CID 8521765

IUPAC(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C21H21FN2O4/c1-3-11-21(15-7-5-4-6-8-15)19(26)24(20(27)23-21)13-17(25)14-9-10-18(28-2)16(22)12-14/h4-10,12H,3,11,13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyWBZGGCIRIFKKGZ-NRFANRHFSA-N
MW384.41 g/mol
LogP3.26
Rot. Bonds7

About (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione

(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 8521765) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID8521765
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C21H21FN2O4/c1-3-11-21(15-7-5-4-6-8-15)19(26)24(20(27)23-21)13-17(25)14-9-10-18(28-2)16(22)12-14/h4-10,12H,3,11,13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyWBZGGCIRIFKKGZ-NRFANRHFSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8522288
(5R)-3-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572554
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8572195
(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41097205
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7489664
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 40927642
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 8521765) is (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is WBZGGCIRIFKKGZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-3-11-21(15-7-5-4-6-8-15)19(26)24(20(27)23-21)13-17(25)14-9-10-18(28-2)16(22)12-14/h4-10,12H,3,11,13H2,1-2H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 384.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 8521765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).