2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

C26H20BrFN4O5 — CID 126207087

IUPAC2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br)Nc1ccccc1
InChIInChI=1S/C26H20BrFN4O5/c27-18-12-16(10-11-22(18)37-15-24(34)29-17-6-2-1-3-7-17)13-21-25(35)32(26(36)31-21)14-23(33)30-20-9-5-4-8-19(20)28/h1-13H,14-15H2,(H,29,34)(H,30,33)(H,31,36)/b21-13+
InChIKeyJVGCUSQQIPYRGJ-FYJGNVAPSA-N
MW567.37 g/mol
LogP4.14
Rot. Bonds8

About 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 126207087) has the molecular formula C26H20BrFN4O5 and a molecular weight of 567.37 g/mol. Its IUPAC name is 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID126207087
Molecular FormulaC26H20BrFN4O5
Molecular Weight567.37 g/mol
Exact Mass566.06
IUPAC Name2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br)Nc1ccccc1
InChIInChI=1S/C26H20BrFN4O5/c27-18-12-16(10-11-22(18)37-15-24(34)29-17-6-2-1-3-7-17)13-21-25(35)32(26(36)31-21)14-23(33)30-20-9-5-4-8-19(20)28/h1-13H,14-15H2,(H,29,34)(H,30,33)(H,31,36)/b21-13+
InChIKeyJVGCUSQQIPYRGJ-FYJGNVAPSA-N
XLogP4.14
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.37
LogP ≤ 54.14
H-Bond Donors ≤ 53
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

2-[(4E)-4-[[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126217882
2-[(4E)-4-[[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126222737
4-[[2-bromo-4-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126219951
2-[(4E)-4-[[3-bromo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126241298
2-[(4E)-4-[[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126209051
2-[2,6-dibromo-4-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126218191
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218354
2-[(4E)-4-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126215755
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126240337
N-(2-fluorophenyl)-2-[(4E)-4-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126206852
2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126374378
2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126173692

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 126207087) is 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is JVGCUSQQIPYRGJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C26H20BrFN4O5/c27-18-12-16(10-11-22(18)37-15-24(34)29-17-6-2-1-3-7-17)13-21-25(35)32(26(36)31-21)14-23(33)30-20-9-5-4-8-19(20)28/h1-13H,14-15H2,(H,29,34)(H,30,33)(H,31,36)/b21-13+.
What are the key properties of 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 567.37 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126207087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).