2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide

C17H13F2NO3S — CID 122244233

IUPAC2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22)
InChIKeyQQOFXSZZCPANSN-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.75
Rot. Bonds5

About 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide

2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide (PubChem CID 122244233) has the molecular formula C17H13F2NO3S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
PubChem CID122244233
Molecular FormulaC17H13F2NO3S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22)
InChIKeyQQOFXSZZCPANSN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129356056
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446
N'-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356579
3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
CID 171130476
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356578

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide (CID 122244233) is 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide is O=C(NCC(O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The InChIKey is QQOFXSZZCPANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22).
What are the key properties of 2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.75, 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-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 122244233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).