(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione

C17H20FN3O4 — CID 98764941

IUPAC(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H](C)CO1
InChIInChI=1S/C17H20FN3O4/c1-10-9-25-11(2)8-20(10)15(22)7-14-16(23)21(17(24)19-14)13-5-3-12(18)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,24)/t10-,11+,14-/m0/s1
InChIKeySVGJADSKQKFDHM-WDMOLILDSA-N
MW349.36 g/mol
LogP1.28
Rot. Bonds3

About (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione

(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 98764941) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID98764941
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H](C)CO1
InChIInChI=1S/C17H20FN3O4/c1-10-9-25-11(2)8-20(10)15(22)7-14-16(23)21(17(24)19-14)13-5-3-12(18)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,24)/t10-,11+,14-/m0/s1
InChIKeySVGJADSKQKFDHM-WDMOLILDSA-N
XLogP1.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.28
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)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione (CID 98764941) is (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione is C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H](C)CO1.
What is the InChIKey of (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is SVGJADSKQKFDHM-WDMOLILDSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-10-9-25-11(2)8-20(10)15(22)7-14-16(23)21(17(24)19-14)13-5-3-12(18)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,24)/t10-,11+,14-/m0/s1.
What are the key properties of (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 349.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 98764941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).