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

C20H18ClN3O4 — CID 7820097

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O4/c1-13(15-8-5-9-16(21)10-15)22-17(25)12-24-19(27)18(26)23(20(24)28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyUOYYHXRITRPWNH-CYBMUJFWSA-N
MW399.83 g/mol
LogP2.51
Rot. Bonds6

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

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 7820097) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID7820097
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O4/c1-13(15-8-5-9-16(21)10-15)22-17(25)12-24-19(27)18(26)23(20(24)28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyUOYYHXRITRPWNH-CYBMUJFWSA-N
XLogP2.51
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
(3aR,6aS)-5-benzyl-N-[1-(3-chlorophenyl)ethyl]-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 146148236
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826717
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide (CID 7820097) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is UOYYHXRITRPWNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-13(15-8-5-9-16(21)10-15)22-17(25)12-24-19(27)18(26)23(20(24)28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 399.83 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 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-[(1R)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 7820097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).