2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C23H27FN4O3 — CID 87049875

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27FN4O3/c24-20-5-1-19(2-6-20)16-27-9-10-28(23(27)30)17-22(29)25-15-18-3-7-21(8-4-18)26-11-13-31-14-12-26/h1-8H,9-17H2,(H,25,29)
InChIKeyDBSPUANVONQUQT-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.22
Rot. Bonds7

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 87049875) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID87049875
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27FN4O3/c24-20-5-1-19(2-6-20)16-27-9-10-28(23(27)30)17-22(29)25-15-18-3-7-21(8-4-18)26-11-13-31-14-12-26/h1-8H,9-17H2,(H,25,29)
InChIKeyDBSPUANVONQUQT-UHFFFAOYSA-N
XLogP2.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 87049875) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is DBSPUANVONQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-20-5-1-19(2-6-20)16-27-9-10-28(23(27)30)17-22(29)25-15-18-3-7-21(8-4-18)26-11-13-31-14-12-26/h1-8H,9-17H2,(H,25,29).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 87049875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).