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

C16H13N3O5 — CID 4783081

IUPAC2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1
InChIInChI=1S/C16H13N3O5/c20-13(17-11-5-2-1-3-6-11)10-19-15(22)14(21)18(16(19)23)9-12-7-4-8-24-12/h1-8H,9-10H2,(H,17,20)
InChIKeyAFZJVKMFFGENRK-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.21
Rot. Bonds5

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

2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 4783081) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID4783081
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1
InChIInChI=1S/C16H13N3O5/c20-13(17-11-5-2-1-3-6-11)10-19-15(22)14(21)18(16(19)23)9-12-7-4-8-24-12/h1-8H,9-10H2,(H,17,20)
InChIKeyAFZJVKMFFGENRK-UHFFFAOYSA-N
XLogP1.21
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.21
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'}

Analyze 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-Furfuryl-3-(4-nitrophenyl)urea
CID 239710
N-Phenyl-2-furancarboxamide
CID 220406
1-Furfuryl-3-(3-nitrophenyl)urea
CID 239941
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
1-(4-Bromophenyl)-3-furfurylurea
CID 239940
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
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
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
Pyrimidine-5-carbonitrile, 2-furan-2-yl-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydro-
CID 3157044
2-(Furan-2-yl)-1,3-dimethyl-2,3-dihydro-1H-benzo[d]imidazole
CID 816799

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide (CID 4783081) is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide is O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is AFZJVKMFFGENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c20-13(17-11-5-2-1-3-6-11)10-19-15(22)14(21)18(16(19)23)9-12-7-4-8-24-12/h1-8H,9-10H2,(H,17,20).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 327.30 g/mol, XLogP of 1.21, 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-phenylacetamide is sourced from PubChem (CID 4783081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).