[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate

C14H11F2NO4 — CID 2561367

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C14H11F2NO4/c1-8-2-5-12(21-8)14(19)20-7-13(18)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyVOBUPNNHOGLISQ-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.66
Rot. Bonds4

About [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate

[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate (PubChem CID 2561367) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
PubChem CID2561367
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)o1
InChIInChI=1S/C14H11F2NO4/c1-8-2-5-12(21-8)14(19)20-7-13(18)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyVOBUPNNHOGLISQ-UHFFFAOYSA-N
XLogP2.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133651
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864568
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735355
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3691417
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2431119
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate (CID 2561367) is [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)o1.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The InChIKey is VOBUPNNHOGLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-8-2-5-12(21-8)14(19)20-7-13(18)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate has a molecular weight of 295.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2561367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).