ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate

C18H18FNO6 — CID 7697107

IUPACethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccccc2F)oc(C)c1C(C)=O
InChIInChI=1S/C18H18FNO6/c1-4-24-18(23)16-15(10(2)21)11(3)26-17(16)20-14(22)9-25-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,22)
InChIKeyDHGUQNMBDJMHJH-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.12
Rot. Bonds7

About ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 7697107) has the molecular formula C18H18FNO6 and a molecular weight of 363.34 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID7697107
Molecular FormulaC18H18FNO6
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Nameethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccccc2F)oc(C)c1C(C)=O
InChIInChI=1S/C18H18FNO6/c1-4-24-18(23)16-15(10(2)21)11(3)26-17(16)20-14(22)9-25-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,22)
InChIKeyDHGUQNMBDJMHJH-UHFFFAOYSA-N
XLogP3.12
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate (CID 7697107) is ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccccc2F)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is DHGUQNMBDJMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO6/c1-4-24-18(23)16-15(10(2)21)11(3)26-17(16)20-14(22)9-25-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 363.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 7697107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).