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

C17H11F2NO4 — CID 90080780

IUPACN-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
SMILESO=C(Nc1oc(-c2cccc(F)c2F)c(O)c1O)c1ccccc1
InChIInChI=1S/C17H11F2NO4/c18-11-8-4-7-10(12(11)19)15-13(21)14(22)17(24-15)20-16(23)9-5-2-1-3-6-9/h1-8,21-22H,(H,20,23)
InChIKeyYTCWBBXKQDDWNB-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.89
Rot. Bonds3

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

N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide (PubChem CID 90080780) has the molecular formula C17H11F2NO4 and a molecular weight of 331.27 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
PubChem CID90080780
Molecular FormulaC17H11F2NO4
Molecular Weight331.27 g/mol
Exact Mass331.07
IUPAC NameN-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
SMILESO=C(Nc1oc(-c2cccc(F)c2F)c(O)c1O)c1ccccc1
InChIInChI=1S/C17H11F2NO4/c18-11-8-4-7-10(12(11)19)15-13(21)14(22)17(24-15)20-16(23)9-5-2-1-3-6-9/h1-8,21-22H,(H,20,23)
InChIKeyYTCWBBXKQDDWNB-UHFFFAOYSA-N
XLogP3.89
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide (CID 90080780) is N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide is O=C(Nc1oc(-c2cccc(F)c2F)c(O)c1O)c1ccccc1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The InChIKey is YTCWBBXKQDDWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO4/c18-11-8-4-7-10(12(11)19)15-13(21)14(22)17(24-15)20-16(23)9-5-2-1-3-6-9/h1-8,21-22H,(H,20,23).
What are the key properties of N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide has a molecular weight of 331.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide is sourced from PubChem (CID 90080780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).