2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide

C21H17ClFNO4 — CID 112771182

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H17ClFNO4/c1-13(25)18-10-16(23)6-8-20(18)27-12-21(26)24-11-17-7-9-19(28-17)14-2-4-15(22)5-3-14/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyQFXWAHBLZPDOJP-UHFFFAOYSA-N
MW401.82 g/mol
LogP4.64
Rot. Bonds7

About 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide

2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 112771182) has the molecular formula C21H17ClFNO4 and a molecular weight of 401.82 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
PubChem CID112771182
Molecular FormulaC21H17ClFNO4
Molecular Weight401.82 g/mol
Exact Mass401.08
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H17ClFNO4/c1-13(25)18-10-16(23)6-8-20(18)27-12-21(26)24-11-17-7-9-19(28-17)14-2-4-15(22)5-3-14/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyQFXWAHBLZPDOJP-UHFFFAOYSA-N
XLogP4.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (CID 112771182) is 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The InChIKey is QFXWAHBLZPDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO4/c1-13(25)18-10-16(23)6-8-20(18)27-12-21(26)24-11-17-7-9-19(28-17)14-2-4-15(22)5-3-14/h2-10H,11-12H2,1H3,(H,24,26).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 401.82 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 112771182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).