1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine

C32H26Cl4F2N2O2 — CID 87785930

About 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine

1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine (PubChem CID 87785930) has the molecular formula C32H26Cl4F2N2O2 and a molecular weight of 650.38 g/mol. Its IUPAC name is 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine.

Molecular Properties

• Compound Name: 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine
• PubChem CID: 87785930
• Molecular Formula: C32H26Cl4F2N2O2
• Molecular Weight: 650.38 g/mol
• Exact Mass: 648.07
• IUPAC Name: 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine
• SMILES: CN(CC1Cc2cc(Cl)cc(-c3cc(F)ccc3F)c2O1)N(C)CC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1
• InChI: InChI=1S/C32H26Cl4F2N2O2/c1-39(15-23-9-17-7-20(34)12-27(31(17)41-23)25-11-19(33)3-5-29(25)36)40(2)16-24-10-18-8-21(35)13-28(32(18)42-24)26-14-22(37)4-6-30(26)38/h3-8,11-14,23-24H,9-10,15-16H2,1-2H3
• InChIKey: LCKSWQMRJLOJAZ-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.38
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine?

The IUPAC name of 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine (CID 87785930) is 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine.

What is the SMILES notation for 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine?

The canonical SMILES for 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine is CN(CC1Cc2cc(Cl)cc(-c3cc(F)ccc3F)c2O1)N(C)CC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1.

What is the InChIKey of 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine?

The InChIKey is LCKSWQMRJLOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl4F2N2O2/c1-39(15-23-9-17-7-20(34)12-27(31(17)41-23)25-11-19(33)3-5-29(25)36)40(2)16-24-10-18-8-21(35)13-28(32(18)42-24)26-14-22(37)4-6-30(26)38/h3-8,11-14,23-24H,9-10,15-16H2,1-2H3.

What are the key properties of 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine?

1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine has a molecular weight of 650.38 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[[5-chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-dimethylhydrazine is sourced from PubChem (CID 87785930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).