2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C16H10F3N3O5 — CID 2568882

IUPAC2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O5/c17-9-3-4-10(13(19)12(9)18)20-11(23)7-22-15(25)14(24)21(16(22)26)6-8-2-1-5-27-8/h1-5H,6-7H2,(H,20,23)
InChIKeyFMXZQSNCIYUSCM-UHFFFAOYSA-N
MW381.27 g/mol
LogP1.63
Rot. Bonds5

About 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2568882) has the molecular formula C16H10F3N3O5 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2568882
Molecular FormulaC16H10F3N3O5
Molecular Weight381.27 g/mol
Exact Mass381.06
IUPAC Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O5/c17-9-3-4-10(13(19)12(9)18)20-11(23)7-22-15(25)14(24)21(16(22)26)6-8-2-1-5-27-8/h1-5H,6-7H2,(H,20,23)
InChIKeyFMXZQSNCIYUSCM-UHFFFAOYSA-N
XLogP1.63
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)furan-2-carboxamide
CID 21428857
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 4591666
2-(Furan-2-yl)-1,3-dimethyl-2,3-dihydro-1H-benzo[d]imidazole
CID 816799
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
CID 2221968
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 2462607
N-(4-fluorophenyl)-1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815710
4-[(Furan-2-carbonyl)-amino]-piperidine-1-carboxylic acid (3-fluoro-phenyl)-amide
CID 3218442
N2-(Furan-2-ylmethyl)-N1-phenylpyrrolidine-1,2-dicarboxamide
CID 3219765
2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221395

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 2568882) is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FMXZQSNCIYUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O5/c17-9-3-4-10(13(19)12(9)18)20-11(23)7-22-15(25)14(24)21(16(22)26)6-8-2-1-5-27-8/h1-5H,6-7H2,(H,20,23).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 381.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2568882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).