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

C14H11F2NO5 — CID 90082113

IUPAC[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2cccc(F)c2F)c(O)c1OC(C)=O
InChIInChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-4-3-5-9(15)10(8)16/h3-5,20H,1-2H3,(H,17,18)
InChIKeyRVYOALRVRABZGD-UHFFFAOYSA-N
MW311.24 g/mol
LogP2.81
Rot. Bonds3

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

[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90082113) has the molecular formula C14H11F2NO5 and a molecular weight of 311.24 g/mol. Its IUPAC name is [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90082113
Molecular FormulaC14H11F2NO5
Molecular Weight311.24 g/mol
Exact Mass311.06
IUPAC Name[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2cccc(F)c2F)c(O)c1OC(C)=O
InChIInChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-4-3-5-9(15)10(8)16/h3-5,20H,1-2H3,(H,17,18)
InChIKeyRVYOALRVRABZGD-UHFFFAOYSA-N
XLogP2.81
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
CID 152514048
[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
N-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90081502
[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
CID 90080934
[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082181
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081966
[2-(4-bromobutanoylamino)-4-hydroxy-5-phenylfuran-3-yl] acetate
CID 90081678
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081480

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90082113) is [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Nc1oc(-c2cccc(F)c2F)c(O)c1OC(C)=O.
What is the InChIKey of [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is RVYOALRVRABZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-4-3-5-9(15)10(8)16/h3-5,20H,1-2H3,(H,17,18).
What are the key properties of [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 311.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90082113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).