2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C19H15ClFN3O3 — CID 21215113

IUPAC2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C19H15ClFN3O3/c1-11-4-2-5-12(8-11)22-17(25)10-24-18(26)16(23-19(24)27)9-13-14(20)6-3-7-15(13)21/h2-9H,10H2,1H3,(H,22,25)(H,23,27)/b16-9+
InChIKeyUKJGCZALVZHRMQ-CXUHLZMHSA-N
MW387.80 g/mol
LogP3.32
Rot. Bonds4

About 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 21215113) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID21215113
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1
InChIInChI=1S/C19H15ClFN3O3/c1-11-4-2-5-12(8-11)22-17(25)10-24-18(26)16(23-19(24)27)9-13-14(20)6-3-7-15(13)21/h2-9H,10H2,1H3,(H,22,25)(H,23,27)/b16-9+
InChIKeyUKJGCZALVZHRMQ-CXUHLZMHSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.32
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-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 21215113) is 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)c1.
What is the InChIKey of 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is UKJGCZALVZHRMQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-11-4-2-5-12(8-11)22-17(25)10-24-18(26)16(23-19(24)27)9-13-14(20)6-3-7-15(13)21/h2-9H,10H2,1H3,(H,22,25)(H,23,27)/b16-9+.
What are the key properties of 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 387.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 21215113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).