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

C13H11ClFNO4 — CID 140833855

IUPACN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)c(F)c2)O1
InChIInChI=1S/C13H11ClFNO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)7-3-4-8(14)9(15)5-7/h3-5,18H,1-2H3,(H,16,17)
InChIKeyBIGOJMJVCIPHQB-UHFFFAOYSA-N
MW299.69 g/mol
LogP2.16
Rot. Bonds2

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

N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (PubChem CID 140833855) has the molecular formula C13H11ClFNO4 and a molecular weight of 299.69 g/mol. Its IUPAC name is N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
PubChem CID140833855
Molecular FormulaC13H11ClFNO4
Molecular Weight299.69 g/mol
Exact Mass299.04
IUPAC NameN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)c(F)c2)O1
InChIInChI=1S/C13H11ClFNO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)7-3-4-8(14)9(15)5-7/h3-5,18H,1-2H3,(H,16,17)
InChIKeyBIGOJMJVCIPHQB-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The IUPAC name of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (CID 140833855) is N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The canonical SMILES for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is CC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)c(F)c2)O1.
What is the InChIKey of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The InChIKey is BIGOJMJVCIPHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO4/c1-6(17)16-12-10(18)11(19)13(2,20-12)7-3-4-8(14)9(15)5-7/h3-5,18H,1-2H3,(H,16,17).
What are the key properties of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide has a molecular weight of 299.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is sourced from PubChem (CID 140833855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).