[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate

C14H12ClNO5 — CID 90082086

IUPAC[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2ccccc2Cl)c(O)c1OC(C)=O
InChIInChI=1S/C14H12ClNO5/c1-7(17)16-14-13(20-8(2)18)11(19)12(21-14)9-5-3-4-6-10(9)15/h3-6,19H,1-2H3,(H,16,17)
InChIKeyLRQOWMFRDDEBJG-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.19
Rot. Bonds3

About [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90082086) has the molecular formula C14H12ClNO5 and a molecular weight of 309.71 g/mol. Its IUPAC name is [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90082086
Molecular FormulaC14H12ClNO5
Molecular Weight309.71 g/mol
Exact Mass309.04
IUPAC Name[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2ccccc2Cl)c(O)c1OC(C)=O
InChIInChI=1S/C14H12ClNO5/c1-7(17)16-14-13(20-8(2)18)11(19)12(21-14)9-5-3-4-6-10(9)15/h3-6,19H,1-2H3,(H,16,17)
InChIKeyLRQOWMFRDDEBJG-UHFFFAOYSA-N
XLogP3.19
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-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

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90082086) is [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Nc1oc(-c2ccccc2Cl)c(O)c1OC(C)=O.
What is the InChIKey of [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is LRQOWMFRDDEBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-7(17)16-14-13(20-8(2)18)11(19)12(21-14)9-5-3-4-6-10(9)15/h3-6,19H,1-2H3,(H,16,17).
What are the key properties of [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 309.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90082086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).