1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea

C24H19F2N3O3 — CID 4038274

IUPAC1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C1CC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H19F2N3O3/c25-17-8-6-16(7-9-17)15-28(24(32)27-19-12-10-18(26)11-13-19)21-14-22(30)29(23(21)31)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,32)
InChIKeyQFXKLDRFMOEQFW-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea

1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea (PubChem CID 4038274) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
PubChem CID4038274
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C1CC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H19F2N3O3/c25-17-8-6-16(7-9-17)15-28(24(32)27-19-12-10-18(26)11-13-19)21-14-22(30)29(23(21)31)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,32)
InChIKeyQFXKLDRFMOEQFW-UHFFFAOYSA-N
XLogP4.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483
ethyl 4-[(3S)-3-[(4-fluorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 92656705
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 4545161
3-(4-methoxyphenyl)-1-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]urea
CID 27871428
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]urea
CID 4637024
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 23916463
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea (CID 4038274) is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea is O=C1CC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is QFXKLDRFMOEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c25-17-8-6-16(7-9-17)15-28(24(32)27-19-12-10-18(26)11-13-19)21-14-22(30)29(23(21)31)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,32).
What are the key properties of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 435.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 4038274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).