[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate

C13H9Cl2NO4 — CID 26984403

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate
SMILESO=C(COC(=O)c1ccoc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4/c14-9-1-2-10(15)11(5-9)16-12(17)7-20-13(18)8-3-4-19-6-8/h1-6H,7H2,(H,16,17)
InChIKeyVUFVPFCVTOPUBI-UHFFFAOYSA-N
MW314.12 g/mol
LogP3.38
Rot. Bonds4

About [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate

[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate (PubChem CID 26984403) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate
PubChem CID26984403
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate
SMILESO=C(COC(=O)c1ccoc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4/c14-9-1-2-10(15)11(5-9)16-12(17)7-20-13(18)8-3-4-19-6-8/h1-6H,7H2,(H,16,17)
InChIKeyVUFVPFCVTOPUBI-UHFFFAOYSA-N
XLogP3.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55404196
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986234
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 42964807
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] furan-3-carboxylate
CID 46649127
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877926
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519875
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781295
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4802573
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 27981788
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503052

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate (CID 26984403) is [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate is O=C(COC(=O)c1ccoc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate?
The InChIKey is VUFVPFCVTOPUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c14-9-1-2-10(15)11(5-9)16-12(17)7-20-13(18)8-3-4-19-6-8/h1-6H,7H2,(H,16,17).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate?
[2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate has a molecular weight of 314.12 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 26984403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).