N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide

C₁₃₆H₈₀Br₆Cl₅F₁₃N₁₄O₂₁ — CID 157074021

About N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide

N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 157074021) has the molecular formula C₁₃₆H₈₀Br₆Cl₅F₁₃N₁₄O₂₁ and a molecular weight of 3149.88 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide
• PubChem CID: 157074021
• Molecular Formula: C₁₃₆H₈₀Br₆Cl₅F₁₃N₁₄O₂₁
• Molecular Weight: 3149.88 g/mol
• Exact Mass: 3139.90
• IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide
• SMILES: CC(F)(F)c1ccc(Cl)c(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c1.Cc1nc(NC(=O)c2ccccc2Cl)ccc1-c1ccc2c(c1)OCO2.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(Cl)ccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1Cl
• InChI: InChI=1S/C21H14BrClF2N2O3.C20H15ClN2O3.C19H10BrClF2N2O3.2C19H11BrClFN2O3.C19H9BrF4N2O3.C19H10BrF3N2O3/c1-21(24,25)12-3-4-16(23)14(6-12)20(28)27-19-5-2-11(9-26-19)13-7-17-18(8-15(13)22)30-10-29-17;1-12-14(13-6-8-17-18(10-13)26-11-25-17)7-9-19(22-12)23-20(24)15-4-2-3-5-16(15)21;20-13-8-16-15(27-19(22,23)28-16)7-12(13)10-5-6-17(24-9-10)25-18(26)11-3-1-2-4-14(11)21;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(22)2-3-15(13)21;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(21)2-3-15(13)22;20-11-7-15-14(28-19(23,24)29-15)6-10(11)9-4-5-16(25-8-9)26-18(27)17-12(21)2-1-3-13(17)22;20-13-8-16-15(27-19(22,23)28-16)7-12(13)10-5-6-17(24-9-10)25-18(26)11-3-1-2-4-14(11)21/h2-9H,10H2,1H3,(H,26,27,28);2-10H,11H2,1H3,(H,22,23,24);1-9H,(H,24,25,26);2*1-8H,9H2,(H,23,24,25);1-8H,(H,25,26,27);1-9H,(H,24,25,26)
• InChIKey: ACTKEXPVLUBQRS-UHFFFAOYSA-N
• XLogP: 37.84
• TPSA: 423.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3149.88
LogP ≤ 5	37.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide (CID 157074021) is N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide.

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

The canonical SMILES for N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide is CC(F)(F)c1ccc(Cl)c(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c1.Cc1nc(NC(=O)c2ccccc2Cl)ccc1-c1ccc2c(c1)OCO2.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(Cl)ccc1F.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1Cl.

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

The InChIKey is ACTKEXPVLUBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrClF2N2O3.C20H15ClN2O3.C19H10BrClF2N2O3.2C19H11BrClFN2O3.C19H9BrF4N2O3.C19H10BrF3N2O3/c1-21(24,25)12-3-4-16(23)14(6-12)20(28)27-19-5-2-11(9-26-19)13-7-17-18(8-15(13)22)30-10-29-17;1-12-14(13-6-8-17-18(10-13)26-11-25-17)7-9-19(22-12)23-20(24)15-4-2-3-5-16(15)21;20-13-8-16-15(27-19(22,23)28-16)7-12(13)10-5-6-17(24-9-10)25-18(26)11-3-1-2-4-14(11)21;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(22)2-3-15(13)21;20-14-7-17-16(26-9-27-17)6-12(14)10-1-4-18(23-8-10)24-19(25)13-5-11(21)2-3-15(13)22;20-11-7-15-14(28-19(23,24)29-15)6-10(11)9-4-5-16(25-8-9)26-18(27)17-12(21)2-1-3-13(17)22;20-13-8-16-15(27-19(22,23)28-16)7-12(13)10-5-6-17(24-9-10)25-18(26)11-3-1-2-4-14(11)21/h2-9H,10H2,1H3,(H,26,27,28);2-10H,11H2,1H3,(H,22,23,24);1-9H,(H,24,25,26);2*1-8H,9H2,(H,23,24,25);1-8H,(H,25,26,27);1-9H,(H,24,25,26).

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

N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 3149.88 g/mol, XLogP of 37.84, 22 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-(1,1-difluoroethyl)benzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chloro-5-fluorobenzamide;N-[5-(6-bromo-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-chloro-2-fluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 157074021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157074021 — identifiers, structure, computed properties (public domain)

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