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

C17H11ClFNO4 — CID 90080427

IUPACN-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
SMILESO=C(Nc1oc(-c2cc(F)ccc2Cl)c(O)c1O)c1ccccc1
InChIInChI=1S/C17H11ClFNO4/c18-12-7-6-10(19)8-11(12)15-13(21)14(22)17(24-15)20-16(23)9-4-2-1-3-5-9/h1-8,21-22H,(H,20,23)
InChIKeyLIDLDWJGYWWGKA-UHFFFAOYSA-N
MW347.73 g/mol
LogP4.40
Rot. Bonds3

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

N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide (PubChem CID 90080427) has the molecular formula C17H11ClFNO4 and a molecular weight of 347.73 g/mol. Its IUPAC name is N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
PubChem CID90080427
Molecular FormulaC17H11ClFNO4
Molecular Weight347.73 g/mol
Exact Mass347.04
IUPAC NameN-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
SMILESO=C(Nc1oc(-c2cc(F)ccc2Cl)c(O)c1O)c1ccccc1
InChIInChI=1S/C17H11ClFNO4/c18-12-7-6-10(19)8-11(12)15-13(21)14(22)17(24-15)20-16(23)9-4-2-1-3-5-9/h1-8,21-22H,(H,20,23)
InChIKeyLIDLDWJGYWWGKA-UHFFFAOYSA-N
XLogP4.40
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide (CID 90080427) is N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The canonical SMILES for N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide is O=C(Nc1oc(-c2cc(F)ccc2Cl)c(O)c1O)c1ccccc1.
What is the InChIKey of N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
The InChIKey is LIDLDWJGYWWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO4/c18-12-7-6-10(19)8-11(12)15-13(21)14(22)17(24-15)20-16(23)9-4-2-1-3-5-9/h1-8,21-22H,(H,20,23).
What are the key properties of N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide?
N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide has a molecular weight of 347.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-fluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide is sourced from PubChem (CID 90080427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).