2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C21H20FN3O4 — CID 9072690

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H20FN3O4/c1-2-23(12-16-9-6-10-17(22)11-16)18(26)14-25-20(28)19(27)24(21(25)29)13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3
InChIKeyMCOTWJJANGBRET-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.17
Rot. Bonds7

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 9072690) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID9072690
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H20FN3O4/c1-2-23(12-16-9-6-10-17(22)11-16)18(26)14-25-20(28)19(27)24(21(25)29)13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3
InChIKeyMCOTWJJANGBRET-UHFFFAOYSA-N
XLogP2.17
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18201411
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31977722
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46653313
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981
N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 18116161
N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18169326

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 9072690) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is MCOTWJJANGBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-2-23(12-16-9-6-10-17(22)11-16)18(26)14-25-20(28)19(27)24(21(25)29)13-15-7-4-3-5-8-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 397.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9072690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).