N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide

C112H94Cl5F13N14O18 — CID 158165850

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide (PubChem CID 158165850) has the molecular formula C112H94Cl5F13N14O18 and a molecular weight of 2348.30 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 158165850
• Molecular Formula: C112H94Cl5F13N14O18
• Molecular Weight: 2348.30 g/mol
• Exact Mass: 2344.51
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
• SMILES: Cc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(CC1CCCCC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(CCC1CCCC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1
• InChI: InChI=1S/2C20H19ClF2N2O3.C20H14F3N3O3.C18H15ClF2N2O3.C17H14ClF2N3O3.C17H13ClF2N2O3/c21-15-10-17-16(27-20(22,23)28-17)9-14(15)13-6-7-18(24-11-13)25-19(26)8-5-12-3-1-2-4-12;21-15-10-17-16(27-20(22,23)28-17)9-14(15)13-6-7-18(24-11-13)25-19(26)8-12-4-2-1-3-5-12;1-10-3-4-12(21)6-14(10)19(27)26-18-9-24-15(8-25-18)13-7-17-16(5-11(13)2)28-20(22,23)29-17;19-13-8-15-14(25-18(20,21)26-15)7-12(13)11-5-6-16(22-9-11)23-17(24)10-3-1-2-4-10;18-11-6-14-13(25-17(19,20)26-14)5-10(11)12-7-22-15(8-21-12)23-16(24)9-3-1-2-4-9;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-4-5-15(21-8-10)22-16(23)9-2-1-3-9/h2*6-7,9-12H,1-5,8H2,(H,24,25,26);3-9H,1-2H3,(H,25,26,27);5-10H,1-4H2,(H,22,23,24);5-9H,1-4H2,(H,22,23,24);4-9H,1-3H2,(H,21,22,23)
• InChIKey: FWVHJYANSBMJNX-UHFFFAOYSA-N
• XLogP: 29.30
• TPSA: 388.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.30
LogP ≤ 5	29.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide (CID 158165850) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.O=C(CC1CCCCC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(CCC1CCCC1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?

The InChIKey is FWVHJYANSBMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19ClF2N2O3.C20H14F3N3O3.C18H15ClF2N2O3.C17H14ClF2N3O3.C17H13ClF2N2O3/c21-15-10-17-16(27-20(22,23)28-17)9-14(15)13-6-7-18(24-11-13)25-19(26)8-5-12-3-1-2-4-12;21-15-10-17-16(27-20(22,23)28-17)9-14(15)13-6-7-18(24-11-13)25-19(26)8-12-4-2-1-3-5-12;1-10-3-4-12(21)6-14(10)19(27)26-18-9-24-15(8-25-18)13-7-17-16(5-11(13)2)28-20(22,23)29-17;19-13-8-15-14(25-18(20,21)26-15)7-12(13)11-5-6-16(22-9-11)23-17(24)10-3-1-2-4-10;18-11-6-14-13(25-17(19,20)26-14)5-10(11)12-7-22-15(8-21-12)23-16(24)9-3-1-2-4-9;18-12-7-14-13(24-17(19,20)25-14)6-11(12)10-4-5-15(21-8-10)22-16(23)9-2-1-3-9/h2*6-7,9-12H,1-5,8H2,(H,24,25,26);3-9H,1-2H3,(H,25,26,27);5-10H,1-4H2,(H,22,23,24);5-9H,1-4H2,(H,22,23,24);4-9H,1-3H2,(H,21,22,23).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide?

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 2348.30 g/mol, XLogP of 29.30, 21 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)pyrazin-2-yl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-cyclohexylacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-cyclopentylpropanamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 158165850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).