N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide

C13H12ClNO4 — CID 140681891

IUPACN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O
InChIInChI=1S/C13H12ClNO4/c1-7-11(17)12(18)13(19-7,15-8(2)16)9-3-5-10(14)6-4-9/h3-6,17H,1-2H3,(H,15,16)
InChIKeyWAUXMXIAKXXFQO-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.02
Rot. Bonds2

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

N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide (PubChem CID 140681891) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
PubChem CID140681891
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O
InChIInChI=1S/C13H12ClNO4/c1-7-11(17)12(18)13(19-7,15-8(2)16)9-3-5-10(14)6-4-9/h3-6,17H,1-2H3,(H,15,16)
InChIKeyWAUXMXIAKXXFQO-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 118262101
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
CID 140681886
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
[5-(4-Chlorophenyl)-2-methyl-4-oxo-5-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140681890
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
CID 140681893
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]ethanesulfonamide
CID 140681894
[5-(4-Chlorophenyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681897
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
CID 140681898
[5-Benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681899
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140681900
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
CID 140681901

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide (CID 140681891) is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide is CC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide?
The InChIKey is WAUXMXIAKXXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-7-11(17)12(18)13(19-7,15-8(2)16)9-3-5-10(14)6-4-9/h3-6,17H,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide?
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide has a molecular weight of 281.70 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide is sourced from PubChem (CID 140681891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).