N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C19H18BrN3O3 — CID 3905761

IUPACN-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(CCc2ccccc2)C1=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c20-14-7-4-8-15(11-14)21-17(24)12-23-18(25)16(22-19(23)26)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26)
InChIKeyPQOAVSHISNTDON-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.94
Rot. Bonds6

About N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 3905761) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID3905761
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(CCc2ccccc2)C1=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c20-14-7-4-8-15(11-14)21-17(24)12-23-18(25)16(22-19(23)26)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26)
InChIKeyPQOAVSHISNTDON-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2-Bromophenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
CID 67255983
3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
CID 2871911
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
US10208071, Table 3.3
CID 2622535
1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 59200611
N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583729
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 2997550
N-(2-Bromo-phenyl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 3220865
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 3314882
N-[5-bromo-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3624319
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 3932353

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 3905761) is N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(CCc2ccccc2)C1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is PQOAVSHISNTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-14-7-4-8-15(11-14)21-17(24)12-23-18(25)16(22-19(23)26)10-9-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H,21,24)(H,22,26).
What are the key properties of N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 416.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 3905761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).