1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C125H101Cl7F15N9O18 — CID 158447268

About 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 158447268) has the molecular formula C125H101Cl7F15N9O18 and a molecular weight of 2550.37 g/mol. Its IUPAC name is 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 158447268
• Molecular Formula: C125H101Cl7F15N9O18
• Molecular Weight: 2550.37 g/mol
• Exact Mass: 2545.48
• IUPAC Name: 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1c(F)cccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1Cl)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1
• InChI: InChI=1S/C30H41ClF2N2O3.C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C18H15ClF2N2O3.C17H13ClF2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)35-28-19-18-23(22-34-28)24-20-26-27(21-25(24)31)38-30(32,33)37-26;21-14-4-2-1-3-11(14)7-17(26)16-6-5-12(10-25-16)13-8-18-19(9-15(13)22)28-20(23,24)27-18;21-13-8-19-18(28-20(24,25)29-19)7-11(13)10-4-5-16(26-9-10)17(27)6-12-14(22)2-1-3-15(12)23;21-14-9-19-18(27-20(23,24)28-19)8-13(14)12-5-6-16(25-10-12)17(26)7-11-3-1-2-4-15(11)22;19-13-9-16-15(25-18(20,21)26-16)8-12(13)11-4-5-14(22-10-11)17(24)23-6-2-1-3-7-23;18-12-8-15-14(24-17(19,20)25-15)7-11(12)10-3-4-13(21-9-10)16(23)22-5-1-2-6-22/h18-22H,2-17H2,1H3,(H,34,35,36);1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;4-5,8-10H,1-3,6-7H2;3-4,7-9H,1-2,5-6H2
• InChIKey: HDNTWPPPZDLMHU-UHFFFAOYSA-N
• XLogP: 34.75
• TPSA: 309.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.37
LogP ≤ 5	34.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 158447268) is 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1c(F)cccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1Cl)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cc1ccccc1F)c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.O=C(c1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1.

What is the InChIKey of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The InChIKey is HDNTWPPPZDLMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41ClF2N2O3.C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C18H15ClF2N2O3.C17H13ClF2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)35-28-19-18-23(22-34-28)24-20-26-27(21-25(24)31)38-30(32,33)37-26;21-14-4-2-1-3-11(14)7-17(26)16-6-5-12(10-25-16)13-8-18-19(9-15(13)22)28-20(23,24)27-18;21-13-8-19-18(28-20(24,25)29-19)7-11(13)10-4-5-16(26-9-10)17(27)6-12-14(22)2-1-3-15(12)23;21-14-9-19-18(27-20(23,24)28-19)8-13(14)12-5-6-16(25-10-12)17(26)7-11-3-1-2-4-15(11)22;19-13-9-16-15(25-18(20,21)26-16)8-12(13)11-4-5-14(22-10-11)17(24)23-6-2-1-3-7-23;18-12-8-15-14(24-17(19,20)25-15)7-11(12)10-3-4-13(21-9-10)16(23)22-5-1-2-6-22/h18-22H,2-17H2,1H3,(H,34,35,36);1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;4-5,8-10H,1-3,6-7H2;3-4,7-9H,1-2,5-6H2.

What are the key properties of 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?

1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 2550.37 g/mol, XLogP of 34.75, 34 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2-fluorophenyl)ethanone;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]octadecanamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-piperidin-1-ylmethanone;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158447268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).