N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C21H21ClFN3O3 — CID 8571189

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O
InChIInChI=1S/C21H21ClFN3O3/c1-2-21(15-6-8-17(23)9-7-15)19(28)26(20(29)25-21)13-18(27)24-11-10-14-4-3-5-16(22)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m0/s1
InChIKeyZWOMLLXLHDTCIE-NRFANRHFSA-N
MW417.87 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8571189) has the molecular formula C21H21ClFN3O3 and a molecular weight of 417.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID8571189
Molecular FormulaC21H21ClFN3O3
Molecular Weight417.87 g/mol
Exact Mass417.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O
InChIInChI=1S/C21H21ClFN3O3/c1-2-21(15-6-8-17(23)9-7-15)19(28)26(20(29)25-21)13-18(27)24-11-10-14-4-3-5-16(22)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m0/s1
InChIKeyZWOMLLXLHDTCIE-NRFANRHFSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.00
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
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
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-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
N-ethyl-2-[[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8571207
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7264595
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2584613
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40974556

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8571189) is N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZWOMLLXLHDTCIE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21ClFN3O3/c1-2-21(15-6-8-17(23)9-7-15)19(28)26(20(29)25-21)13-18(27)24-11-10-14-4-3-5-16(22)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,24,27)(H,25,29)/t21-/m0/s1.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8571189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).