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

C23H31FN4O5 — CID 110163970

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

3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide (PubChem CID 110163970) has the molecular formula C23H31FN4O5 and a molecular weight of 462.52 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide
• PubChem CID: 110163970
• Molecular Formula: C23H31FN4O5
• Molecular Weight: 462.52 g/mol
• Exact Mass: 462.23
• IUPAC Name: 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide
• SMILES: CN(C(=O)CCC1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
• InChI: InChI=1S/C23H31FN4O5/c1-27(17-3-2-4-18(20(17)30)28-11-13-33-14-12-28)19(29)9-10-23(21(31)25-22(32)26-23)15-5-7-16(24)8-6-15/h5-8,17-18,20,30H,2-4,9-14H2,1H3,(H2,25,26,31,32)/t17-,18-,20-,23?/m1/s1
• InChIKey: AIKVFBHFXHPACQ-KLIPWLBKSA-N
• XLogP: 0.71
• TPSA: 111.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.52
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide?

The IUPAC name of 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide (CID 110163970) is 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide.

What is the SMILES notation for 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide?

The canonical SMILES for 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide is CN(C(=O)CCC1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.

What is the InChIKey of 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide?

The InChIKey is AIKVFBHFXHPACQ-KLIPWLBKSA-N. The full InChI is InChI=1S/C23H31FN4O5/c1-27(17-3-2-4-18(20(17)30)28-11-13-33-14-12-28)19(29)9-10-23(21(31)25-22(32)26-23)15-5-7-16(24)8-6-15/h5-8,17-18,20,30H,2-4,9-14H2,1H3,(H2,25,26,31,32)/t17-,18-,20-,23?/m1/s1.

What are the key properties of 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide?

3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide has a molecular weight of 462.52 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 110163970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).