(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

C21H21FN2O4 — CID 8677038

IUPAC(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C21H21FN2O4/c1-21(11-10-14-6-8-17(28-2)9-7-14)19(26)24(20(27)23-21)13-18(25)15-4-3-5-16(22)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyDBIRQMALDADKFR-NRFANRHFSA-N
MW384.41 g/mol
LogP2.96
Rot. Bonds7

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

(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 8677038) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID8677038
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C21H21FN2O4/c1-21(11-10-14-6-8-17(28-2)9-7-14)19(26)24(20(27)23-21)13-18(25)15-4-3-5-16(22)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyDBIRQMALDADKFR-NRFANRHFSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 8677038) is (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(F)c3)C2=O)cc1.
What is the InChIKey of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DBIRQMALDADKFR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-21(11-10-14-6-8-17(28-2)9-7-14)19(26)24(20(27)23-21)13-18(25)15-4-3-5-16(22)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 384.41 g/mol, XLogP of 2.96, 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-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8677038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).