2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide

C21H16F2N2O2S — CID 71158578

About 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide (PubChem CID 71158578) has the molecular formula C21H16F2N2O2S and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide
• PubChem CID: 71158578
• Molecular Formula: C21H16F2N2O2S
• Molecular Weight: 398.43 g/mol
• Exact Mass: 398.09
• IUPAC Name: 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide
• SMILES: CC1OC(c2nccs2)=CC1c1ccc(NC(=O)c2c(F)cccc2F)cc1
• InChI: InChI=1S/C21H16F2N2O2S/c1-12-15(11-18(27-12)21-24-9-10-28-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-12,15H,1H3,(H,25,26)
• InChIKey: SVDOBZHXEAMZMI-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.43
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide (CID 71158578) is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide is CC1OC(c2nccs2)=CC1c1ccc(NC(=O)c2c(F)cccc2F)cc1.

What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide?

The InChIKey is SVDOBZHXEAMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2S/c1-12-15(11-18(27-12)21-24-9-10-28-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-12,15H,1H3,(H,25,26).

What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide?

2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide is sourced from PubChem (CID 71158578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).