(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

C15H16FN3O4 — CID 95571346

IUPAC(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCOCC1
InChIInChI=1S/C15H16FN3O4/c16-10-1-3-11(4-2-10)19-14(21)12(17-15(19)22)9-13(20)18-5-7-23-8-6-18/h1-4,12H,5-9H2,(H,17,22)/t12-/m0/s1
InChIKeySMJQOYRFCLFHLZ-LBPRGKRZSA-N
MW321.31 g/mol
LogP0.50
Rot. Bonds3

About (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (PubChem CID 95571346) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
PubChem CID95571346
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCOCC1
InChIInChI=1S/C15H16FN3O4/c16-10-1-3-11(4-2-10)19-14(21)12(17-15(19)22)9-13(20)18-5-7-23-8-6-18/h1-4,12H,5-9H2,(H,17,22)/t12-/m0/s1
InChIKeySMJQOYRFCLFHLZ-LBPRGKRZSA-N
XLogP0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.50
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

(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 95137890
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 56814098
(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 98764941
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
3-[(3,4-dimethoxyphenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 75532001
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473
3-(4-fluorophenyl)-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082365
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110205017

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (CID 95571346) is (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCOCC1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The InChIKey is SMJQOYRFCLFHLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FN3O4/c16-10-1-3-11(4-2-10)19-14(21)12(17-15(19)22)9-13(20)18-5-7-23-8-6-18/h1-4,12H,5-9H2,(H,17,22)/t12-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione has a molecular weight of 321.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95571346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).