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

C14H14BrN3O4 — CID 7756670

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1Br
InChIInChI=1S/C14H14BrN3O4/c1-8(9-5-3-4-6-10(9)15)16-11(19)7-18-13(21)12(20)17(2)14(18)22/h3-6,8H,7H2,1-2H3,(H,16,19)/t8-/m0/s1
InChIKeyZTFSFJRYAFUGAG-QMMMGPOBSA-N
MW368.19 g/mol
LogP1.05
Rot. Bonds4

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

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7756670) has the molecular formula C14H14BrN3O4 and a molecular weight of 368.19 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7756670
Molecular FormulaC14H14BrN3O4
Molecular Weight368.19 g/mol
Exact Mass367.02
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1Br
InChIInChI=1S/C14H14BrN3O4/c1-8(9-5-3-4-6-10(9)15)16-11(19)7-18-13(21)12(20)17(2)14(18)22/h3-6,8H,7H2,1-2H3,(H,16,19)/t8-/m0/s1
InChIKeyZTFSFJRYAFUGAG-QMMMGPOBSA-N
XLogP1.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 51.05
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

N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807257
N-[1-(2-bromophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24544712
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757106
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8569401
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962709
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725812
N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7756670) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZTFSFJRYAFUGAG-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14BrN3O4/c1-8(9-5-3-4-6-10(9)15)16-11(19)7-18-13(21)12(20)17(2)14(18)22/h3-6,8H,7H2,1-2H3,(H,16,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 368.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7756670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).