N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide

C24H20ClF2NO4 — CID 26346602

About N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide

N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide (PubChem CID 26346602) has the molecular formula C24H20ClF2NO4 and a molecular weight of 459.88 g/mol. Its IUPAC name is N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
• PubChem CID: 26346602
• Molecular Formula: C24H20ClF2NO4
• Molecular Weight: 459.88 g/mol
• Exact Mass: 459.10
• IUPAC Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
• SMILES: COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2c(F)cccc2F)O3)c1
• InChI: InChI=1S/C24H20ClF2NO4/c1-30-15-6-7-21(31-2)17(11-15)13-8-14-9-16(32-23(14)18(25)10-13)12-28-24(29)22-19(26)4-3-5-20(22)27/h3-8,10-11,16H,9,12H2,1-2H3,(H,28,29)/t16-/m1/s1
• InChIKey: KTGRQHOPGVRRCY-MRXNPFEDSA-N
• XLogP: 5.04
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.88
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide?

The IUPAC name of N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide (CID 26346602) is N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide?

The canonical SMILES for N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide is COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2c(F)cccc2F)O3)c1.

What is the InChIKey of N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide?

The InChIKey is KTGRQHOPGVRRCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20ClF2NO4/c1-30-15-6-7-21(31-2)17(11-15)13-8-14-9-16(32-23(14)18(25)10-13)12-28-24(29)22-19(26)4-3-5-20(22)27/h3-8,10-11,16H,9,12H2,1-2H3,(H,28,29)/t16-/m1/s1.

What are the key properties of N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide?

N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide has a molecular weight of 459.88 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 26346602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).