3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

C25H22FN3O3 — CID 127031547

IUPAC3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O3/c26-21-13-11-18(12-14-21)17-27-22(30)15-16-29-23(31)25(28-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,27,30)(H,28,32)
InChIKeyILUUXEPPRBUCGF-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.33
Rot. Bonds7

About 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 127031547) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID127031547
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O3/c26-21-13-11-18(12-14-21)17-27-22(30)15-16-29-23(31)25(28-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,27,30)(H,28,32)
InChIKeyILUUXEPPRBUCGF-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 127031547) is 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ILUUXEPPRBUCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c26-21-13-11-18(12-14-21)17-27-22(30)15-16-29-23(31)25(28-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,27,30)(H,28,32).
What are the key properties of 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 431.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 127031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).