2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide

C18H13ClFN3O4 — CID 2504178

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFN3O4/c19-13-8-12(6-7-14(13)20)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyCSLZCIUPBUGDRW-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.41
Rot. Bonds5

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 2504178) has the molecular formula C18H13ClFN3O4 and a molecular weight of 389.77 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID2504178
Molecular FormulaC18H13ClFN3O4
Molecular Weight389.77 g/mol
Exact Mass389.06
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFN3O4/c19-13-8-12(6-7-14(13)20)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyCSLZCIUPBUGDRW-UHFFFAOYSA-N
XLogP2.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 2504178) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is CSLZCIUPBUGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O4/c19-13-8-12(6-7-14(13)20)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 389.77 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 2504178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).