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

C19H18FNO7 — CID 18194760

IUPACethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)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)12-6-5-7-13(20)8-12/h5-8H,4,9H2,1-3H3,(H,21,23)
InChIKeyYREPQEDJFZEXIH-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.90
Rot. Bonds7

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

ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 18194760) has the molecular formula C19H18FNO7 and a molecular weight of 391.35 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID18194760
Molecular FormulaC19H18FNO7
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Nameethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)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)12-6-5-7-13(20)8-12/h5-8H,4,9H2,1-3H3,(H,21,23)
InChIKeyYREPQEDJFZEXIH-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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Related Compounds

ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565483
ethyl 4-acetyl-2-[[2-(2-bromo-4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 55393570
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8514453
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2427007
[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 30565474
ethyl 4-acetyl-5-methyl-2-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 7715496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate (CID 18194760) is ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(F)c2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is YREPQEDJFZEXIH-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)12-6-5-7-13(20)8-12/h5-8H,4,9H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-(3-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-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 18194760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).