N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide

C111H82Cl2F17N15O18 — CID 159185668

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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)cncc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(CC1CC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C21H15F3N2O3.C20H20F2N2O3.C19H11F4N3O3.C18H10F4N4O3.C17H13ClF2N2O3.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;1-12-9-16-17(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;1-9-4-14-15(29-19(22,23)28-14)5-11(9)10-2-3-16(25-6-10)26-18(27)17-12(20)7-24-8-13(17)21;1-8-2-13-14(29-18(21,22)28-13)3-9(8)12-6-25-15(7-24-12)26-17(27)16-10(19)4-23-5-11(16)20;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-3-4-15(21-8-10)22-16(23)5-9-1-2-9;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);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);2-7H,1H3,(H,25,26,27);3-4,6-9H,1-2,5H2,(H,21,22,23);3-8H,1-2H3,(H,20,21,22)
InChIKeyKNLNCOBHZDKPFG-UHFFFAOYSA-N
MW2307.84 g/mol
LogP26.76
Rot. Bonds19

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (PubChem CID 159185668) has the molecular formula C111H82Cl2F17N15O18 and a molecular weight of 2307.84 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
PubChem CID159185668
Molecular FormulaC111H82Cl2F17N15O18
Molecular Weight2307.84 g/mol
Exact Mass2305.51
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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)cncc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(CC1CC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C21H15F3N2O3.C20H20F2N2O3.C19H11F4N3O3.C18H10F4N4O3.C17H13ClF2N2O3.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;1-12-9-16-17(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;1-9-4-14-15(29-19(22,23)28-14)5-11(9)10-2-3-16(25-6-10)26-18(27)17-12(20)7-24-8-13(17)21;1-8-2-13-14(29-18(21,22)28-13)3-9(8)12-6-25-15(7-24-12)26-17(27)16-10(19)4-23-5-11(16)20;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-3-4-15(21-8-10)22-16(23)5-9-1-2-9;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);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);2-7H,1H3,(H,25,26,27);3-4,6-9H,1-2,5H2,(H,21,22,23);3-8H,1-2H3,(H,20,21,22)
InChIKeyKNLNCOBHZDKPFG-UHFFFAOYSA-N
XLogP26.76
TPSA401.37 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002307.84
LogP ≤ 526.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (CID 159185668) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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)cncc3F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OC(F)(F)O2.Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(CC1CC1)Nc1ccc(-c2cc3c(cc2Cl)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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The InChIKey is KNLNCOBHZDKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3.C20H20F2N2O3.C19H11F4N3O3.C18H10F4N4O3.C17H13ClF2N2O3.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;1-12-9-16-17(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;1-9-4-14-15(29-19(22,23)28-14)5-11(9)10-2-3-16(25-6-10)26-18(27)17-12(20)7-24-8-13(17)21;1-8-2-13-14(29-18(21,22)28-13)3-9(8)12-6-25-15(7-24-12)26-17(27)16-10(19)4-23-5-11(16)20;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-3-4-15(21-8-10)22-16(23)5-9-1-2-9;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);7-11,13H,2-6H2,1H3,(H,23,24,25);2-8H,1H3,(H,25,26,27);2-7H,1H3,(H,25,26,27);3-4,6-9H,1-2,5H2,(H,21,22,23);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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide has a molecular weight of 2307.84 g/mol, XLogP of 26.76, 19 rotatable bonds, 6 hydrogen bond donors, and 27 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-cyclopropylacetamide;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]-3,5-difluoropyridine-4-carboxamide;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]-3,5-difluoropyridine-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 159185668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).