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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide

C114H73Cl6F15N10O18 — CID 159024044

IUPAC1-[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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)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
InChIInChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(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;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;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/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,7-9H,1-2,5-6H2
InChIKeyJUBKUGKLNZHBMJ-UHFFFAOYSA-N
MW2368.58 g/mol
LogP29.27
Rot. Bonds20

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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide

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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide (PubChem CID 159024044) has the molecular formula C114H73Cl6F15N10O18 and a molecular weight of 2368.58 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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name1-[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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
PubChem CID159024044
Molecular FormulaC114H73Cl6F15N10O18
Molecular Weight2368.58 g/mol
Exact Mass2364.30
IUPAC Name1-[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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)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
InChIInChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(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;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;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/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);3-4,7-9H,1-2,5-6H2
InChIKeyJUBKUGKLNZHBMJ-UHFFFAOYSA-N
XLogP29.27
TPSA330.71 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.58
LogP ≤ 529.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide with MolForge

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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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide (CID 159024044) 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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide.
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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide is CC1(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)CC1.Cc1cnccc1C(=O)Nc1ccc(-c2cc3c(cc2C)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.
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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
The InChIKey is JUBKUGKLNZHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F2NO3.C20H10ClF4NO3.C20H11ClF3NO3.C20H15F2N3O3.2C17H13ClF2N2O3/c21-14-4-2-1-3-11(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;1-11-7-16-17(28-20(21,22)27-16)8-15(11)13-3-4-18(24-10-13)25-19(26)14-5-6-23-9-12(14)2;1-16(4-5-16)15(23)22-14-3-2-9(8-21-14)10-6-12-13(7-11(10)18)25-17(19,20)24-12;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/h1-6,8-10H,7H2;1-5,7-9H,6H2;1-6,8-10H,7H2;3-10H,1-2H3,(H,24,25,26);2-3,6-8H,4-5H2,1H3,(H,21,22,23);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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide?
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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide has a molecular weight of 2368.58 g/mol, XLogP of 29.27, 20 rotatable bonds, 2 hydrogen bond donors, and 25 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]-1-methylcyclopropane-1-carboxamide;[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 159024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).