2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H13ClF3N3O3 — CID 2062489

IUPAC2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O3/c20-13-6-4-11(5-7-13)8-15-17(28)26(18(29)25-15)10-16(27)24-14-3-1-2-12(9-14)19(21,22)23/h1-9H,10H2,(H,24,27)(H,25,29)/b15-8+
InChIKeyWGCQSQKUKSGIQX-OVCLIPMQSA-N
MW423.78 g/mol
LogP3.89
Rot. Bonds4

About 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2062489) has the molecular formula C19H13ClF3N3O3 and a molecular weight of 423.78 g/mol. Its IUPAC name is 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2062489
Molecular FormulaC19H13ClF3N3O3
Molecular Weight423.78 g/mol
Exact Mass423.06
IUPAC Name2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O3/c20-13-6-4-11(5-7-13)8-15-17(28)26(18(29)25-15)10-16(27)24-14-3-1-2-12(9-14)19(21,22)23/h1-9H,10H2,(H,24,27)(H,25,29)/b15-8+
InChIKeyWGCQSQKUKSGIQX-OVCLIPMQSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2062489) is 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WGCQSQKUKSGIQX-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H13ClF3N3O3/c20-13-6-4-11(5-7-13)8-15-17(28)26(18(29)25-15)10-16(27)24-14-3-1-2-12(9-14)19(21,22)23/h1-9H,10H2,(H,24,27)(H,25,29)/b15-8+.
What are the key properties of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 423.78 g/mol, XLogP of 3.89, 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-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).