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

C17H16FNO5 — CID 108740989

IUPACethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(F)c2)oc(C)c1C(C)=O
InChIInChI=1S/C17H16FNO5/c1-4-23-17(22)14-13(9(2)20)10(3)24-16(14)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)
InChIKeyLNPWLJUBTDSLHX-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.36
Rot. Bonds5

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

ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate (PubChem CID 108740989) has the molecular formula C17H16FNO5 and a molecular weight of 333.31 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
PubChem CID108740989
Molecular FormulaC17H16FNO5
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Nameethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(F)c2)oc(C)c1C(C)=O
InChIInChI=1S/C17H16FNO5/c1-4-23-17(22)14-13(9(2)20)10(3)24-16(14)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)
InChIKeyLNPWLJUBTDSLHX-UHFFFAOYSA-N
XLogP3.36
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-(2-bromo-4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 55393570
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
ethyl 4-acetyl-5-methyl-2-(phenylcarbamothioylamino)furan-3-carboxylate
CID 108782925
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate (CID 108740989) is ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccc(F)c2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate?
The InChIKey is LNPWLJUBTDSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-4-23-17(22)14-13(9(2)20)10(3)24-16(14)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate has a molecular weight of 333.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 108740989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).