N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide

C96H59Br3Cl4F7N7O15S2 — CID 162055296

About N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide

N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide (PubChem CID 162055296) has the molecular formula C96H59Br3Cl4F7N7O15S2 and a molecular weight of 2129.21 g/mol. Its IUPAC name is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide
• PubChem CID: 162055296
• Molecular Formula: C96H59Br3Cl4F7N7O15S2
• Molecular Weight: 2129.21 g/mol
• Exact Mass: 2122.97
• IUPAC Name: N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide
• SMILES: Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl
• InChI: InChI=1S/C20H13BrClNO3.C20H13BrFNO3.C20H11Cl2F2NO3.C18H11BrF2N2O3S.C18H11ClF2N2O3S/c2*21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;21-15-4-2-1-3-13(15)19(26)25-12-7-5-11(6-8-12)14-9-17-18(10-16(14)22)28-20(23,24)27-17;2*1-9-8-22-27-16(9)17(24)23-11-4-2-10(3-5-11)12-6-14-15(7-13(12)19)26-18(20,21)25-14/h2*1-10H,11H2,(H,23,24);1-10H,(H,25,26);2*2-8H,1H3,(H,23,24)
• InChIKey: YZCCGHCPBSNPPT-UHFFFAOYSA-N
• XLogP: 28.02
• TPSA: 263.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.21
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide?

The IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide (CID 162055296) is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide.

What is the SMILES notation for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide?

The canonical SMILES for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide is Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1)c1ccccc1Cl.

What is the InChIKey of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide?

The InChIKey is YZCCGHCPBSNPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClNO3.C20H13BrFNO3.C20H11Cl2F2NO3.C18H11BrF2N2O3S.C18H11ClF2N2O3S/c2*21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;21-15-4-2-1-3-13(15)19(26)25-12-7-5-11(6-8-12)14-9-17-18(10-16(14)22)28-20(23,24)27-17;2*1-9-8-22-27-16(9)17(24)23-11-4-2-10(3-5-11)12-6-14-15(7-13(12)19)26-18(20,21)25-14/h2*1-10H,11H2,(H,23,24);1-10H,(H,25,26);2*2-8H,1H3,(H,23,24).

What are the key properties of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide?

N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide has a molecular weight of 2129.21 g/mol, XLogP of 28.02, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2-chloro-N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]benzamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 162055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).