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

C19H14ClNO5 — CID 90082257

IUPAC[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C19H14ClNO5/c1-11(22)25-17-15(23)16(12-7-9-14(20)10-8-12)26-19(17)21-18(24)13-5-3-2-4-6-13/h2-10,23H,1H3,(H,21,24)
InChIKeyWFNHVZXNKPPPBO-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.48
Rot. Bonds4

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

[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90082257) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90082257
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC Name[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C19H14ClNO5/c1-11(22)25-17-15(23)16(12-7-9-14(20)10-8-12)26-19(17)21-18(24)13-5-3-2-4-6-13/h2-10,23H,1H3,(H,21,24)
InChIKeyWFNHVZXNKPPPBO-UHFFFAOYSA-N
XLogP4.48
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90082257) is [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(Cl)cc2)c1O.
What is the InChIKey of [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is WFNHVZXNKPPPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5/c1-11(22)25-17-15(23)16(12-7-9-14(20)10-8-12)26-19(17)21-18(24)13-5-3-2-4-6-13/h2-10,23H,1H3,(H,21,24).
What are the key properties of [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 371.78 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90082257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).