2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide

C18H13BrN4O6 — CID 16797924

IUPAC2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13BrN4O6/c19-11-1-6-15(24)10(7-11)8-14-17(26)22(18(27)21-14)9-16(25)20-12-2-4-13(5-3-12)23(28)29/h1-8,24H,9H2,(H,20,25)(H,21,27)/b14-8-
InChIKeyTVRFPUKBOIISOW-ZSOIEALJSA-N
MW461.23 g/mol
LogP2.59
Rot. Bonds5

About 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide

2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 16797924) has the molecular formula C18H13BrN4O6 and a molecular weight of 461.23 g/mol. Its IUPAC name is 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID16797924
Molecular FormulaC18H13BrN4O6
Molecular Weight461.23 g/mol
Exact Mass460.00
IUPAC Name2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13BrN4O6/c19-11-1-6-15(24)10(7-11)8-14-17(26)22(18(27)21-14)9-16(25)20-12-2-4-13(5-3-12)23(28)29/h1-8,24H,9H2,(H,20,25)(H,21,27)/b14-8-
InChIKeyTVRFPUKBOIISOW-ZSOIEALJSA-N
XLogP2.59
TPSA141.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.23
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16963554
2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16963563
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 16632760
2-[4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 4587173
2-[(4Z)-4-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107540
2-[(4E)-4-[(2-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126102269
2-[(4E)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126106101
N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126024896
2-[(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 16632143
N-(4-bromophenyl)-2-[(4E)-4-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50867024

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide (CID 16797924) is 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide is O=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is TVRFPUKBOIISOW-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H13BrN4O6/c19-11-1-6-15(24)10(7-11)8-14-17(26)22(18(27)21-14)9-16(25)20-12-2-4-13(5-3-12)23(28)29/h1-8,24H,9H2,(H,20,25)(H,21,27)/b14-8-.
What are the key properties of 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 461.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 16797924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).