(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C17H21FN2O4 — CID 8522288

IUPAC(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C17H21FN2O4/c1-4-5-8-17(2)15(22)20(16(23)19-17)10-13(21)11-6-7-14(24-3)12(18)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyFGEJQCXDDSHVIE-KRWDZBQOSA-N
MW336.36 g/mol
LogP2.52
Rot. Bonds7

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

(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 8522288) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID8522288
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C17H21FN2O4/c1-4-5-8-17(2)15(22)20(16(23)19-17)10-13(21)11-6-7-14(24-3)12(18)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyFGEJQCXDDSHVIE-KRWDZBQOSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.52
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)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8521765
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7546006
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98230090
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486373

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 8522288) is (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FGEJQCXDDSHVIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-4-5-8-17(2)15(22)20(16(23)19-17)10-13(21)11-6-7-14(24-3)12(18)9-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 336.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8522288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).