[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate

C20H13ClF3NO4 — CID 43026763

IUPAC[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13ClF3NO4/c1-10(19(26)25-14-7-6-13(22)17(23)18(14)24)28-20(27)16-9-8-15(29-16)11-4-2-3-5-12(11)21/h2-10H,1H3,(H,25,26)
InChIKeyOQZGFIIZUWFDEF-UHFFFAOYSA-N
MW423.77 g/mol
LogP5.20
Rot. Bonds5

About [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate (PubChem CID 43026763) has the molecular formula C20H13ClF3NO4 and a molecular weight of 423.77 g/mol. Its IUPAC name is [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
PubChem CID43026763
Molecular FormulaC20H13ClF3NO4
Molecular Weight423.77 g/mol
Exact Mass423.05
IUPAC Name[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13ClF3NO4/c1-10(19(26)25-14-7-6-13(22)17(23)18(14)24)28-20(27)16-9-8-15(29-16)11-4-2-3-5-12(11)21/h2-10H,1H3,(H,25,26)
InChIKeyOQZGFIIZUWFDEF-UHFFFAOYSA-N
XLogP5.20
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716872
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 43026775
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 46624947
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750329
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7484915
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
1-O-methyl 4-O-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] benzene-1,4-dicarboxylate
CID 7296578
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 16539465
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 17472963
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42973466
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42973453
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 7351860

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate (CID 43026763) is [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate is CC(OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
The InChIKey is OQZGFIIZUWFDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3NO4/c1-10(19(26)25-14-7-6-13(22)17(23)18(14)24)28-20(27)16-9-8-15(29-16)11-4-2-3-5-12(11)21/h2-10H,1H3,(H,25,26).
What are the key properties of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate?
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate has a molecular weight of 423.77 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 43026763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).