N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide

C13H11Cl2NO4 — CID 140834203

IUPACN-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C13H11Cl2NO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)9-7(14)4-3-5-8(9)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyGADZWBGJTGDQMN-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.67
Rot. Bonds2

About N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide

N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (PubChem CID 140834203) has the molecular formula C13H11Cl2NO4 and a molecular weight of 316.14 g/mol. Its IUPAC name is N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
PubChem CID140834203
Molecular FormulaC13H11Cl2NO4
Molecular Weight316.14 g/mol
Exact Mass315.01
IUPAC NameN-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C13H11Cl2NO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)9-7(14)4-3-5-8(9)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyGADZWBGJTGDQMN-UHFFFAOYSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide 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

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
CID 140834179
3-bromo-N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]propane-1-sulfonamide
CID 140834381
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-2-ylfuran-2-yl)acetamide
CID 140833669
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151717686
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833569
4-bromo-N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834261
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833935
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140834026
1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833727
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The IUPAC name of N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (CID 140834203) is N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The canonical SMILES for N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is CC(=O)NC1=C(O)C(=O)C(C)(c2c(Cl)cccc2Cl)O1.
What is the InChIKey of N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The InChIKey is GADZWBGJTGDQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)9-7(14)4-3-5-8(9)15/h3-5,18H,1-2H3,(H,16,17).
What are the key properties of N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide has a molecular weight of 316.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is sourced from PubChem (CID 140834203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).