2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H14F3N3O5 — CID 4784981

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O5/c20-19(21,22)30-14-8-6-13(7-9-14)23-15(26)11-25-17(28)16(27)24(18(25)29)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,26)
InChIKeyUVFWZHUIDSYBJQ-UHFFFAOYSA-N
MW421.33 g/mol
LogP2.51
Rot. Bonds6

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 4784981) has the molecular formula C19H14F3N3O5 and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID4784981
Molecular FormulaC19H14F3N3O5
Molecular Weight421.33 g/mol
Exact Mass421.09
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O5/c20-19(21,22)30-14-8-6-13(7-9-14)23-15(26)11-25-17(28)16(27)24(18(25)29)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,26)
InChIKeyUVFWZHUIDSYBJQ-UHFFFAOYSA-N
XLogP2.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 4784981) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UVFWZHUIDSYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O5/c20-19(21,22)30-14-8-6-13(7-9-14)23-15(26)11-25-17(28)16(27)24(18(25)29)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,26).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 421.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4784981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).