2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C20H20FN3O3 — CID 51867023

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H20FN3O3/c1-23(12-15-8-5-9-16(21)10-15)18(25)13-24-19(26)17(22-20(24)27)11-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyWISPXFGQKAUYTO-KRWDZBQOSA-N
MW369.40 g/mol
LogP1.95
Rot. Bonds6

About 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 51867023) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID51867023
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H20FN3O3/c1-23(12-15-8-5-9-16(21)10-15)18(25)13-24-19(26)17(22-20(24)27)11-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyWISPXFGQKAUYTO-KRWDZBQOSA-N
XLogP1.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.95
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

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 42988064
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24658769
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2704236
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 97061444
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 55443935
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 51867023) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WISPXFGQKAUYTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-23(12-15-8-5-9-16(21)10-15)18(25)13-24-19(26)17(22-20(24)27)11-14-6-3-2-4-7-14/h2-10,17H,11-13H2,1H3,(H,22,27)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 369.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 51867023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).