2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C21H22FN3O4 — CID 2217750

IUPAC2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOCCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H22FN3O4/c1-29-13-5-12-24-18(14-19(26)23-16-6-3-2-4-7-16)20(27)25(21(24)28)17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyZIIDYTBNLJECLK-GOSISDBHSA-N
MW399.42 g/mol
LogP3.03
Rot. Bonds8

About 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 2217750) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID2217750
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOCCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H22FN3O4/c1-29-13-5-12-24-18(14-19(26)23-16-6-3-2-4-7-16)20(27)25(21(24)28)17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyZIIDYTBNLJECLK-GOSISDBHSA-N
XLogP3.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 42554438
N-(3-fluorophenyl)-2-[(4R)-3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 7340940
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774817
2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 3371767
N-ethyl-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 2236087
N-(3-fluorophenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7268890
N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3165086
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40520463
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]-N-phenylacetamide
CID 28851556
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 2217750) is 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COCCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is ZIIDYTBNLJECLK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-29-13-5-12-24-18(14-19(26)23-16-6-3-2-4-7-16)20(27)25(21(24)28)17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 399.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2217750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).