2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C19H16IN3O3 — CID 126112477

IUPAC2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(I)cc3)C2=O)c1
InChIInChI=1S/C19H16IN3O3/c1-12-3-2-4-15(9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26)/b16-10+
InChIKeyMPDPBTWOUWHIGA-MHWRWJLKSA-N
MW461.26 g/mol
LogP3.13
Rot. Bonds4

About 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 126112477) has the molecular formula C19H16IN3O3 and a molecular weight of 461.26 g/mol. Its IUPAC name is 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID126112477
Molecular FormulaC19H16IN3O3
Molecular Weight461.26 g/mol
Exact Mass461.02
IUPAC Name2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(I)cc3)C2=O)c1
InChIInChI=1S/C19H16IN3O3/c1-12-3-2-4-15(9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26)/b16-10+
InChIKeyMPDPBTWOUWHIGA-MHWRWJLKSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.26
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
2-[(4E)-2,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108576
2-[(4E)-4-[[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112125
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6045074
N-(3-methylphenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7943296
N-(3-methylphenyl)-2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3372624
2-[4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 3689113
2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126103145
2-[(4E)-4-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126111925
2-[2-bromo-4-iodo-6-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126102594
2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 3930443
2-[(4E)-4-[[3-ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126109364

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 126112477) is 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(I)cc3)C2=O)c1.
What is the InChIKey of 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is MPDPBTWOUWHIGA-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H16IN3O3/c1-12-3-2-4-15(9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26)/b16-10+.
What are the key properties of 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 461.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126112477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).