N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide

C115H90ClF17N14O18 — CID 158433451

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCC(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)C3CCCCC3)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)C3CCCCC3)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C21H15F3N2O3.C20H12F4N2O3.C20H20F2N2O3.C19H11F4N3O3.C19H19F2N3O3.C16H13ClF2N2O3/c1-11-3-5-14(22)8-16(11)20(27)26-19-6-4-13(10-25-19)15-9-18-17(7-12(15)2)28-21(23,24)29-18;1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-12-9-16-17(27-20(21,22)26-16)10-15(12)14-7-8-18(23-11-14)24-19(25)13-5-3-2-4-6-13;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-11-7-15-16(27-19(20,21)26-15)8-13(11)14-9-23-17(10-22-14)24-18(25)12-5-3-2-4-6-12;1-8(2)15(22)21-14-4-3-9(7-20-14)10-5-12-13(6-11(10)17)24-16(18,19)23-12/h3-10H,1-2H3,(H,25,26,27);2-9H,1H3,(H,25,26,27);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);7-10,12H,2-6H2,1H3,(H,23,24,25);3-8H,1-2H3,(H,20,21,22)
InChIKeyHBYAFVFOVBDCBK-UHFFFAOYSA-N
MW2314.48 g/mol
LogP27.80
Rot. Bonds18

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (PubChem CID 158433451) has the molecular formula C115H90ClF17N14O18 and a molecular weight of 2314.48 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
PubChem CID158433451
Molecular FormulaC115H90ClF17N14O18
Molecular Weight2314.48 g/mol
Exact Mass2312.60
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCC(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)C3CCCCC3)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)C3CCCCC3)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C21H15F3N2O3.C20H12F4N2O3.C20H20F2N2O3.C19H11F4N3O3.C19H19F2N3O3.C16H13ClF2N2O3/c1-11-3-5-14(22)8-16(11)20(27)26-19-6-4-13(10-25-19)15-9-18-17(7-12(15)2)28-21(23,24)29-18;1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-12-9-16-17(27-20(21,22)26-16)10-15(12)14-7-8-18(23-11-14)24-19(25)13-5-3-2-4-6-13;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-11-7-15-16(27-19(20,21)26-15)8-13(11)14-9-23-17(10-22-14)24-18(25)12-5-3-2-4-6-12;1-8(2)15(22)21-14-4-3-9(7-20-14)10-5-12-13(6-11(10)17)24-16(18,19)23-12/h3-10H,1-2H3,(H,25,26,27);2-9H,1H3,(H,25,26,27);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);7-10,12H,2-6H2,1H3,(H,23,24,25);3-8H,1-2H3,(H,20,21,22)
InChIKeyHBYAFVFOVBDCBK-UHFFFAOYSA-N
XLogP27.80
TPSA388.48 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002314.48
LogP ≤ 527.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (CID 158433451) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is CC(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)C3CCCCC3)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)C3CCCCC3)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The InChIKey is HBYAFVFOVBDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3.C20H12F4N2O3.C20H20F2N2O3.C19H11F4N3O3.C19H19F2N3O3.C16H13ClF2N2O3/c1-11-3-5-14(22)8-16(11)20(27)26-19-6-4-13(10-25-19)15-9-18-17(7-12(15)2)28-21(23,24)29-18;1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-12-9-16-17(27-20(21,22)26-16)10-15(12)14-7-8-18(23-11-14)24-19(25)13-5-3-2-4-6-13;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-11-7-15-16(27-19(20,21)26-15)8-13(11)14-9-23-17(10-22-14)24-18(25)12-5-3-2-4-6-12;1-8(2)15(22)21-14-4-3-9(7-20-14)10-5-12-13(6-11(10)17)24-16(18,19)23-12/h3-10H,1-2H3,(H,25,26,27);2-9H,1H3,(H,25,26,27);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);7-10,12H,2-6H2,1H3,(H,23,24,25);3-8H,1-2H3,(H,20,21,22).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide has a molecular weight of 2314.48 g/mol, XLogP of 27.80, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 158433451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).