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

C19H18FNO7 — CID 7696297

IUPACethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C19H18FNO7/c1-4-26-19(25)16-15(10(2)22)11(3)28-17(16)21-14(23)9-27-18(24)12-5-7-13(20)8-6-12/h5-8H,4,9H2,1-3H3,(H,21,23)
InChIKeyLQGUBDKGMCITPU-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.90
Rot. Bonds7

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

ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 7696297) has the molecular formula C19H18FNO7 and a molecular weight of 391.35 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID7696297
Molecular FormulaC19H18FNO7
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Nameethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2)oc(C)c1C(C)=O
InChIInChI=1S/C19H18FNO7/c1-4-26-19(25)16-15(10(2)22)11(3)28-17(16)21-14(23)9-27-18(24)12-5-7-13(20)8-6-12/h5-8H,4,9H2,1-3H3,(H,21,23)
InChIKeyLQGUBDKGMCITPU-UHFFFAOYSA-N
XLogP2.90
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate (CID 7696297) is ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is LQGUBDKGMCITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO7/c1-4-26-19(25)16-15(10(2)22)11(3)28-17(16)21-14(23)9-27-18(24)12-5-7-13(20)8-6-12/h5-8H,4,9H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 391.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 7696297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).