2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide

C22H23ClFN3O3 — CID 56519869

IUPAC2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)c1ccccc1
InChIInChI=1S/C22H23ClFN3O3/c1-3-7-18(14-8-5-4-6-9-14)25-19(28)13-27-20(29)22(2,26-21(27)30)16-11-10-15(24)12-17(16)23/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKHGRTHAHRRXULM-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.90
Rot. Bonds7

About 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide (PubChem CID 56519869) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
PubChem CID56519869
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)c1ccccc1
InChIInChI=1S/C22H23ClFN3O3/c1-3-7-18(14-8-5-4-6-9-14)25-19(28)13-27-20(29)22(2,26-21(27)30)16-11-10-15(24)12-17(16)23/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKHGRTHAHRRXULM-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
CID 4804687
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 56518590
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2583056
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 56518341
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56519734
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285
2-[(4S)-4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 95148221
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56520130
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4804703
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide (CID 56519869) is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)c1ccccc1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide?
The InChIKey is KHGRTHAHRRXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c1-3-7-18(14-8-5-4-6-9-14)25-19(28)13-27-20(29)22(2,26-21(27)30)16-11-10-15(24)12-17(16)23/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide?
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide has a molecular weight of 431.90 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 56519869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).