N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

C12H9F2NO4 — CID 90080755

IUPACN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C12H9F2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)6-2-7(13)4-8(14)3-6/h2-4,17-18H,1H3,(H,15,16)
InChIKeyGAGNAFBUOYPLSO-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.59
Rot. Bonds2

About N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (PubChem CID 90080755) has the molecular formula C12H9F2NO4 and a molecular weight of 269.20 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
PubChem CID90080755
Molecular FormulaC12H9F2NO4
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC NameN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C12H9F2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)6-2-7(13)4-8(14)3-6/h2-4,17-18H,1H3,(H,15,16)
InChIKeyGAGNAFBUOYPLSO-UHFFFAOYSA-N
XLogP2.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (CID 90080755) is N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is CC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The InChIKey is GAGNAFBUOYPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)6-2-7(13)4-8(14)3-6/h2-4,17-18H,1H3,(H,15,16).
What are the key properties of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide has a molecular weight of 269.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is sourced from PubChem (CID 90080755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).