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

C13H14BrN3O3 — CID 94823440

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O3/c1-7(8-3-2-4-9(14)5-8)15-11(18)6-10-12(19)17-13(20)16-10/h2-5,7,10H,6H2,1H3,(H,15,18)(H2,16,17,19,20)/t7-,10-/m0/s1
InChIKeyAQCASESYHLEYCB-XVKPBYJWSA-N
MW340.18 g/mol
LogP1.22
Rot. Bonds4

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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 94823440) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID94823440
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O3/c1-7(8-3-2-4-9(14)5-8)15-11(18)6-10-12(19)17-13(20)16-10/h2-5,7,10H,6H2,1H3,(H,15,18)(H2,16,17,19,20)/t7-,10-/m0/s1
InChIKeyAQCASESYHLEYCB-XVKPBYJWSA-N
XLogP1.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
2-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 75460025
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 699845
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
CID 81376334
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-(2,4-dibromophenyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 118382196
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1-phenylethyl)acetamide
CID 118985656
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-phenylethyl)acetamide
CID 75465794

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 94823440) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is AQCASESYHLEYCB-XVKPBYJWSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-7(8-3-2-4-9(14)5-8)15-11(18)6-10-12(19)17-13(20)16-10/h2-5,7,10H,6H2,1H3,(H,15,18)(H2,16,17,19,20)/t7-,10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 94823440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).