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

C17H13NO6 — CID 90081584

IUPAC[2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccco2)c1O
InChIInChI=1S/C17H13NO6/c1-10(19)23-15-13(20)14(12-8-5-9-22-12)24-17(15)18-16(21)11-6-3-2-4-7-11/h2-9,20H,1H3,(H,18,21)
InChIKeyGWRPCCTWHHUISX-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.42
Rot. Bonds4

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

[2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081584) has the molecular formula C17H13NO6 and a molecular weight of 327.29 g/mol. Its IUPAC name is [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081584
Molecular FormulaC17H13NO6
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name[2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccco2)c1O
InChIInChI=1S/C17H13NO6/c1-10(19)23-15-13(20)14(12-8-5-9-22-12)24-17(15)18-16(21)11-6-3-2-4-7-11/h2-9,20H,1H3,(H,18,21)
InChIKeyGWRPCCTWHHUISX-UHFFFAOYSA-N
XLogP3.42
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90081584) is [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccco2)c1O.
What is the InChIKey of [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is GWRPCCTWHHUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO6/c1-10(19)23-15-13(20)14(12-8-5-9-22-12)24-17(15)18-16(21)11-6-3-2-4-7-11/h2-9,20H,1H3,(H,18,21).
What are the key properties of [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
[2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 327.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).