3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide

C22H29FN4O5 — CID 124963563

IUPAC3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
SMILESCN(C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C22H29FN4O5/c1-26(16-6-7-17(19(16)29)27-10-12-32-13-11-27)18(28)8-9-22(20(30)24-21(31)25-22)14-2-4-15(23)5-3-14/h2-5,16-17,19,29H,6-13H2,1H3,(H2,24,25,30,31)/t16-,17-,19-,22-/m1/s1
InChIKeyHREBNIOBZGDVQT-VALFRTSSSA-N
MW448.50 g/mol
LogP0.32
Rot. Bonds6

About 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide

3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide (PubChem CID 124963563) has the molecular formula C22H29FN4O5 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
PubChem CID124963563
Molecular FormulaC22H29FN4O5
Molecular Weight448.50 g/mol
Exact Mass448.21
IUPAC Name3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
SMILESCN(C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C22H29FN4O5/c1-26(16-6-7-17(19(16)29)27-10-12-32-13-11-27)18(28)8-9-22(20(30)24-21(31)25-22)14-2-4-15(23)5-3-14/h2-5,16-17,19,29H,6-13H2,1H3,(H2,24,25,30,31)/t16-,17-,19-,22-/m1/s1
InChIKeyHREBNIOBZGDVQT-VALFRTSSSA-N
XLogP0.32
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide
CID 110163970
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110128109
3-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 110165005
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
CID 110163833
5-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110164987
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
CID 110164811
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylisoquinoline-1-carboxamide
CID 110127623
2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127437
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
CID 110127624
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 110164801
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 110164982
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The IUPAC name of 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide (CID 124963563) is 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The canonical SMILES for 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide is CN(C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The InChIKey is HREBNIOBZGDVQT-VALFRTSSSA-N. The full InChI is InChI=1S/C22H29FN4O5/c1-26(16-6-7-17(19(16)29)27-10-12-32-13-11-27)18(28)8-9-22(20(30)24-21(31)25-22)14-2-4-15(23)5-3-14/h2-5,16-17,19,29H,6-13H2,1H3,(H2,24,25,30,31)/t16-,17-,19-,22-/m1/s1.
What are the key properties of 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide has a molecular weight of 448.50 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide is sourced from PubChem (CID 124963563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).