2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide

C21H20FN3O3 — CID 3932233

IUPAC2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(N2C(=O)C(CC(=O)Nc3cccc(F)c3)N(C3CC3)C2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-13-5-7-17(8-6-13)25-20(27)18(24(21(25)28)16-9-10-16)12-19(26)23-15-4-2-3-14(22)11-15/h2-8,11,16,18H,9-10,12H2,1H3,(H,23,26)
InChIKeyBZGAZHSZOOEBLQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.46
Rot. Bonds5

About 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide

2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 3932233) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID3932233
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(N2C(=O)C(CC(=O)Nc3cccc(F)c3)N(C3CC3)C2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-13-5-7-17(8-6-13)25-20(27)18(24(21(25)28)16-9-10-16)12-19(26)23-15-4-2-3-14(22)11-15/h2-8,11,16,18H,9-10,12H2,1H3,(H,23,26)
InChIKeyBZGAZHSZOOEBLQ-UHFFFAOYSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
(5Z)-1-[(4-fluorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1570689
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2491586
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-p-tolylamide
CID 3221243
N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4212204
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide (CID 3932233) is 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide is Cc1ccc(N2C(=O)C(CC(=O)Nc3cccc(F)c3)N(C3CC3)C2=O)cc1.
What is the InChIKey of 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is BZGAZHSZOOEBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-5-7-17(8-6-13)25-20(27)18(24(21(25)28)16-9-10-16)12-19(26)23-15-4-2-3-14(22)11-15/h2-8,11,16,18H,9-10,12H2,1H3,(H,23,26).
What are the key properties of 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 3932233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).