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

C19H13F2NO5 — CID 90080678

IUPAC[2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2cccc(F)c2F)c1O
InChIInChI=1S/C19H13F2NO5/c1-10(23)26-17-15(24)16(12-8-5-9-13(20)14(12)21)27-19(17)22-18(25)11-6-3-2-4-7-11/h2-9,24H,1H3,(H,22,25)
InChIKeyDJQXBQPNQCFWMF-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.11
Rot. Bonds4

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

[2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90080678) has the molecular formula C19H13F2NO5 and a molecular weight of 373.31 g/mol. Its IUPAC name is [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90080678
Molecular FormulaC19H13F2NO5
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name[2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2cccc(F)c2F)c1O
InChIInChI=1S/C19H13F2NO5/c1-10(23)26-17-15(24)16(12-8-5-9-13(20)14(12)21)27-19(17)22-18(25)11-6-3-2-4-7-11/h2-9,24H,1H3,(H,22,25)
InChIKeyDJQXBQPNQCFWMF-UHFFFAOYSA-N
XLogP4.11
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90080678) is [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2cccc(F)c2F)c1O.
What is the InChIKey of [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is DJQXBQPNQCFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO5/c1-10(23)26-17-15(24)16(12-8-5-9-13(20)14(12)21)27-19(17)22-18(25)11-6-3-2-4-7-11/h2-9,24H,1H3,(H,22,25).
What are the key properties of [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 373.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90080678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).