2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C26H21BrClN3O5 — CID 126235383

IUPAC2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H21BrClN3O5/c1-15-3-7-18(8-4-15)29-24(32)14-36-23-13-20(27)16(12-22(23)35-2)11-21-25(33)31(26(34)30-21)19-9-5-17(28)6-10-19/h3-13H,14H2,1-2H3,(H,29,32)(H,30,34)/b21-11+
InChIKeyKYQWLXNBTAXXDD-SRZZPIQSSA-N
MW570.83 g/mol
LogP5.53
Rot. Bonds7

About 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126235383) has the molecular formula C26H21BrClN3O5 and a molecular weight of 570.83 g/mol. Its IUPAC name is 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID126235383
Molecular FormulaC26H21BrClN3O5
Molecular Weight570.83 g/mol
Exact Mass569.04
IUPAC Name2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H21BrClN3O5/c1-15-3-7-18(8-4-15)29-24(32)14-36-23-13-20(27)16(12-22(23)35-2)11-21-25(33)31(26(34)30-21)19-9-5-17(28)6-10-19/h3-13H,14H2,1-2H3,(H,29,32)(H,30,34)/b21-11+
InChIKeyKYQWLXNBTAXXDD-SRZZPIQSSA-N
XLogP5.53
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.83
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 126181228
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126176026
methyl 2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 21234076
2-[2-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4553785
2-[2-bromo-4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 3433210
2-[(4E)-4-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 2584034
2-[(4E)-4-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126022948
2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126173692
N-[(Z)-[2-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126197913
2-[(4E)-4-[(2-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030684
2-[4-bromo-2-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 126389260

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 126235383) is 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is KYQWLXNBTAXXDD-SRZZPIQSSA-N. The full InChI is InChI=1S/C26H21BrClN3O5/c1-15-3-7-18(8-4-15)29-24(32)14-36-23-13-20(27)16(12-22(23)35-2)11-21-25(33)31(26(34)30-21)19-9-5-17(28)6-10-19/h3-13H,14H2,1-2H3,(H,29,32)(H,30,34)/b21-11+.
What are the key properties of 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 570.83 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126235383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).