2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

C19H16FNO2S — CID 73167895

IUPAC2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23)
InChIKeyNCMABHODSDPPSX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.90
Rot. Bonds5

About 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 73167895) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID73167895
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23)
InChIKeyNCMABHODSDPPSX-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (CID 73167895) is 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is NCMABHODSDPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23).
What are the key properties of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 73167895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).