[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

C19H14FNO5 — CID 90080325

IUPAC[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccccc2F)c1O
InChIInChI=1S/C19H14FNO5/c1-11(22)25-17-15(23)16(13-9-5-6-10-14(13)20)26-19(17)21-18(24)12-7-3-2-4-8-12/h2-10,23H,1H3,(H,21,24)
InChIKeyDPGGLKAWXIUFMN-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.97
Rot. Bonds4

About [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90080325) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90080325
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccccc2F)c1O
InChIInChI=1S/C19H14FNO5/c1-11(22)25-17-15(23)16(13-9-5-6-10-14(13)20)26-19(17)21-18(24)12-7-3-2-4-8-12/h2-10,23H,1H3,(H,21,24)
InChIKeyDPGGLKAWXIUFMN-UHFFFAOYSA-N
XLogP3.97
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90080325) is [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccccc2F)c1O.
What is the InChIKey of [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is DPGGLKAWXIUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-11(22)25-17-15(23)16(13-9-5-6-10-14(13)20)26-19(17)21-18(24)12-7-3-2-4-8-12/h2-10,23H,1H3,(H,21,24).
What are the key properties of [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 355.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90080325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).