2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide

C16H11ClFNO2S — CID 121019111

IUPAC2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClFNO2S/c17-11-3-1-4-12(18)15(11)16(20)19-9-10-6-7-13(21-10)14-5-2-8-22-14/h1-8H,9H2,(H,19,20)
InChIKeyOUEATUVPXNSLLP-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide (PubChem CID 121019111) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
PubChem CID121019111
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC Name2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClFNO2S/c17-11-3-1-4-12(18)15(11)16(20)19-9-10-6-7-13(21-10)14-5-2-8-22-14/h1-8H,9H2,(H,19,20)
InChIKeyOUEATUVPXNSLLP-UHFFFAOYSA-N
XLogP4.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide (CID 121019111) is 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide is O=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The InChIKey is OUEATUVPXNSLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c17-11-3-1-4-12(18)15(11)16(20)19-9-10-6-7-13(21-10)14-5-2-8-22-14/h1-8H,9H2,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 121019111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).