2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide

C23H26FN3O3 — CID 7622192

IUPAC2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C23H26FN3O3/c1-2-3-14-23(18-9-11-19(24)12-10-18)21(29)27(22(30)26-23)16-20(28)25-15-13-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,25,28)(H,26,30)/t23-/m0/s1
InChIKeyCNRHVMNRDYHCNI-QHCPKHFHSA-N
MW411.48 g/mol
LogP3.12
Rot. Bonds9

About 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7622192) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID7622192
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C23H26FN3O3/c1-2-3-14-23(18-9-11-19(24)12-10-18)21(29)27(22(30)26-23)16-20(28)25-15-13-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,25,28)(H,26,30)/t23-/m0/s1
InChIKeyCNRHVMNRDYHCNI-QHCPKHFHSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.12
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-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571189
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595537
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595536
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide (CID 7622192) is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is CNRHVMNRDYHCNI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-2-3-14-23(18-9-11-19(24)12-10-18)21(29)27(22(30)26-23)16-20(28)25-15-13-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,25,28)(H,26,30)/t23-/m0/s1.
What are the key properties of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7622192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).