[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C20H15ClFNO5 — CID 140834284

IUPAC[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C20H15ClFNO5/c1-11(24)27-16-17(25)20(2,14-10-13(21)8-9-15(14)22)28-19(16)23-18(26)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,26)
InChIKeyGFLGRFIDVWVCMK-UHFFFAOYSA-N
MW403.79 g/mol
LogP3.46
Rot. Bonds4

About [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140834284) has the molecular formula C20H15ClFNO5 and a molecular weight of 403.79 g/mol. Its IUPAC name is [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140834284
Molecular FormulaC20H15ClFNO5
Molecular Weight403.79 g/mol
Exact Mass403.06
IUPAC Name[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C20H15ClFNO5/c1-11(24)27-16-17(25)20(2,14-10-13(21)8-9-15(14)22)28-19(16)23-18(26)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,26)
InChIKeyGFLGRFIDVWVCMK-UHFFFAOYSA-N
XLogP3.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one
CID 88673709
[2-Amino-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080704
[2-Amino-5-(3-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081818
[2-Amino-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90082062
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833563
[2-Benzamido-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833571
N-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833573
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833585
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833620
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833637
[2-(4-Bromobutanoylamino)-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833660
[2-Benzamido-5-(2,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833692

Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140834284) is [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(Cl)ccc2F)C1=O.
What is the InChIKey of [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is GFLGRFIDVWVCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO5/c1-11(24)27-16-17(25)20(2,14-10-13(21)8-9-15(14)22)28-19(16)23-18(26)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,26).
What are the key properties of [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 403.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).