[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C20H15F2NO5 — CID 140833950

IUPAC[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C20H15F2NO5/c1-11(24)27-16-17(25)20(2,13-8-14(21)10-15(22)9-13)28-19(16)23-18(26)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,26)
InChIKeyGXJOXQDVDXWHJC-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.94
Rot. Bonds4

About [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833950) has the molecular formula C20H15F2NO5 and a molecular weight of 387.34 g/mol. Its IUPAC name is [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833950
Molecular FormulaC20H15F2NO5
Molecular Weight387.34 g/mol
Exact Mass387.09
IUPAC Name[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C20H15F2NO5/c1-11(24)27-16-17(25)20(2,13-8-14(21)10-15(22)9-13)28-19(16)23-18(26)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,26)
InChIKeyGXJOXQDVDXWHJC-UHFFFAOYSA-N
XLogP2.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate
CID 140833945
[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151984574
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151717686
[5-(4-chloro-3-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834404
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
CID 140834227
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
[5-(2,5-dimethoxyphenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834386

Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833950) is [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is GXJOXQDVDXWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO5/c1-11(24)27-16-17(25)20(2,13-8-14(21)10-15(22)9-13)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-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 387.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).