(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione

C23H24FN3O4 — CID 97496508

IUPAC(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C23H24FN3O4/c24-18-8-4-5-16(13-18)14-27-22(29)19(25-23(27)30)9-10-21(28)26-11-12-31-20(15-26)17-6-2-1-3-7-17/h1-8,13,19-20H,9-12,14-15H2,(H,25,30)/t19-,20-/m0/s1
InChIKeyKVSHUPBYHDXQIB-PMACEKPBSA-N
MW425.46 g/mol
LogP2.63
Rot. Bonds6

About (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione

(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione (PubChem CID 97496508) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
PubChem CID97496508
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C23H24FN3O4/c24-18-8-4-5-16(13-18)14-27-22(29)19(25-23(27)30)9-10-21(28)26-11-12-31-20(15-26)17-6-2-1-3-7-17/h1-8,13,19-20H,9-12,14-15H2,(H,25,30)/t19-,20-/m0/s1
InChIKeyKVSHUPBYHDXQIB-PMACEKPBSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.63
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-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97489497
ethyl 4-[3-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazine-1-carboxylate
CID 91821646
(5S)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91640441
(5S)-3-[(2-chlorophenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91638752
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134067569
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione (CID 97496508) is (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione is O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is KVSHUPBYHDXQIB-PMACEKPBSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-18-8-4-5-16(13-18)14-27-22(29)19(25-23(27)30)9-10-21(28)26-11-12-31-20(15-26)17-6-2-1-3-7-17/h1-8,13,19-20H,9-12,14-15H2,(H,25,30)/t19-,20-/m0/s1.
What are the key properties of (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione?
(5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-fluorophenyl)methyl]-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97496508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).