[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C16H16FNO6 — CID 140833548

IUPAC[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1
InChIInChI=1S/C16H16FNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-7-5-6-8-11(10)17/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyWTTWWBPXODLLAM-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.12
Rot. Bonds4

About [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833548) has the molecular formula C16H16FNO6 and a molecular weight of 337.30 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833548
Molecular FormulaC16H16FNO6
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1
InChIInChI=1S/C16H16FNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-7-5-6-8-11(10)17/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyWTTWWBPXODLLAM-UHFFFAOYSA-N
XLogP2.12
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate 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

2-(2-Fluorophenyl)-3-oxo-4-(3-methoxycarbonylphenyl)-5-methylamino-2,3-dihydrofuran
CID 20247655
Methyl 3-(2-amino-4-oxo-5-phenylfuran-3-yl)-4-fluorobenzoate
CID 20247691
Methyl 4-fluoro-3-[2-(methylamino)-4-oxo-5-phenylfuran-3-yl]benzoate
CID 20247719
Methyl 3-[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl]benzoate
CID 20247727
Methyl 3-[5-(4-fluorophenyl)-2-(methylamino)-4-oxofuran-3-yl]benzoate
CID 20247730
Ethyl 3-(2-amino-4-oxo-5-phenylfuran-3-yl)-5-fluorobenzoate
CID 20247735
Methyl 3-fluoro-5-[2-(methylamino)-4-oxo-5-phenylfuran-3-yl]benzoate
CID 20247747
4-(3-Fluorophenyl)-5-(methylamino)-2-phenylfuran-3-one
CID 59073346
5-Amino-4-hydroxy-2-(4-fluorophenyl)-furan-3-one
CID 82045475
[2-Amino-5-(2,5-difluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080219
[2-Amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080222
[2-Amino-5-(2,6-difluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080241

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833548) is [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1.
What is the InChIKey of [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is WTTWWBPXODLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-7-5-6-8-11(10)17/h5-8H,4H2,1-3H3,(H,18,21).
What are the key properties of [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 337.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).