2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide

C17H13F2NO3S — CID 124727297

IUPAC2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO3S/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-7-23-9-11)14-5-2-8-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1
InChIKeyKFDCNLGWSPHRIX-KRWDZBQOSA-N
MW349.36 g/mol
LogP3.29
Rot. Bonds5

About 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide

2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (PubChem CID 124727297) has the molecular formula C17H13F2NO3S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
PubChem CID124727297
Molecular FormulaC17H13F2NO3S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO3S/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-7-23-9-11)14-5-2-8-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1
InChIKeyKFDCNLGWSPHRIX-KRWDZBQOSA-N
XLogP3.29
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (CID 124727297) is 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The InChIKey is KFDCNLGWSPHRIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13F2NO3S/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-7-23-9-11)14-5-2-8-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 124727297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).