2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide

C24H17BrClN3O4 — CID 126173692

IUPAC2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1
InChIInChI=1S/C24H17BrClN3O4/c25-19-12-15(6-11-21(19)33-14-22(30)27-17-4-2-1-3-5-17)13-20-23(31)29(24(32)28-20)18-9-7-16(26)8-10-18/h1-13H,14H2,(H,27,30)(H,28,32)/b20-13+
InChIKeyJUGWJMRYPGQJQF-DEDYPNTBSA-N
MW526.77 g/mol
LogP5.22
Rot. Bonds6

About 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide

2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide (PubChem CID 126173692) has the molecular formula C24H17BrClN3O4 and a molecular weight of 526.77 g/mol. Its IUPAC name is 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
PubChem CID126173692
Molecular FormulaC24H17BrClN3O4
Molecular Weight526.77 g/mol
Exact Mass525.01
IUPAC Name2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1
InChIInChI=1S/C24H17BrClN3O4/c25-19-12-15(6-11-21(19)33-14-22(30)27-17-4-2-1-3-5-17)13-20-23(31)29(24(32)28-20)18-9-7-16(26)8-10-18/h1-13H,14H2,(H,27,30)(H,28,32)/b20-13+
InChIKeyJUGWJMRYPGQJQF-DEDYPNTBSA-N
XLogP5.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 3433210
2-[2-bromo-4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 126225966
2-[4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 2925783
2-[2-bromo-4-[(E)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126065147
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207087
2-[2-bromo-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126051577
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126235008
2-[2,6-dibromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126259679
2-[2-bromo-4-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126370719
2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126235383
2-[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126269146

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide (CID 126173692) is 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide is O=C(COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is JUGWJMRYPGQJQF-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H17BrClN3O4/c25-19-12-15(6-11-21(19)33-14-22(30)27-17-4-2-1-3-5-17)13-20-23(31)29(24(32)28-20)18-9-7-16(26)8-10-18/h1-13H,14H2,(H,27,30)(H,28,32)/b20-13+.
What are the key properties of 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 526.77 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126173692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).