(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate

C20H17NO5 — CID 140834323

IUPAC(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O
InChIInChI=1S/C20H17NO5/c1-13(22)25-16-17(23)20(2,15-11-7-4-8-12-15)26-19(16)21-18(24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,21,24)
InChIKeyIYJSVQBVJZDPCO-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.66
Rot. Bonds4

About (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate

(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate (PubChem CID 140834323) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate.

Molecular Properties

Compound Name(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate
PubChem CID140834323
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O
InChIInChI=1S/C20H17NO5/c1-13(22)25-16-17(23)20(2,15-11-7-4-8-12-15)26-19(16)21-18(24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,21,24)
InChIKeyIYJSVQBVJZDPCO-UHFFFAOYSA-N
XLogP2.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833637
[2-Benzamido-5-(2,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833692
[2-Benzamido-5-(2,6-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833712
[2-Benzamido-5-(3,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833730
N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833822
[2-Benzamido-5-(2-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833832
[2-Benzamido-5-(2,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833878
[2-Benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834113
N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834150

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate?
The IUPAC name of (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate (CID 140834323) is (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate.
What is the SMILES notation for (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate?
The canonical SMILES for (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate is CC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O.
What is the InChIKey of (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate?
The InChIKey is IYJSVQBVJZDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-13(22)25-16-17(23)20(2,15-11-7-4-8-12-15)26-19(16)21-18(24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,21,24).
What are the key properties of (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate?
(2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate has a molecular weight of 351.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate is sourced from PubChem (CID 140834323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).