N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide

C116H93Cl7F14N16O23 — CID 160524481

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1
InChIInChI=1S/2C19H17ClF2N2O3.C18H15ClF2N2O4.C16H12ClF2N3O3.C15H12ClF2N3O3.C15H11ClF2N2O4.C14H9ClF2N2O3/c2*20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;19-12-8-15-14(26-18(20,21)27-15)7-11(12)10-4-5-16(22-9-10)23-17(24)13-3-1-2-6-25-13;17-10-5-13-12(24-16(18,19)25-13)4-9(10)11-6-21-14(7-20-11)22-15(23)8-2-1-3-8;1-2-3-14(22)21-13-7-19-10(6-20-13)8-4-11-12(5-9(8)16)24-15(17,18)23-11;1-22-7-14(21)20-13-3-2-8(6-19-13)9-4-11-12(5-10(9)16)24-15(17,18)23-11;1-7(20)19-13-3-2-8(6-18-13)9-4-11-12(5-10(9)15)22-14(16,17)21-11/h2*6-11H,1-5H2,(H,23,24,25);4-5,7-9,13H,1-3,6H2,(H,22,23,24);4-8H,1-3H2,(H,21,22,23);4-7H,2-3H2,1H3,(H,20,21,22);2-6H,7H2,1H3,(H,19,20,21);2-6H,1H3,(H,18,19,20)
InChIKeyQUSBEWZYDRUJBB-UHFFFAOYSA-N
MW2593.25 g/mol
LogP29.42
Rot. Bonds22

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide (PubChem CID 160524481) has the molecular formula C116H93Cl7F14N16O23 and a molecular weight of 2593.25 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
PubChem CID160524481
Molecular FormulaC116H93Cl7F14N16O23
Molecular Weight2593.25 g/mol
Exact Mass2588.42
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1
InChIInChI=1S/2C19H17ClF2N2O3.C18H15ClF2N2O4.C16H12ClF2N3O3.C15H12ClF2N3O3.C15H11ClF2N2O4.C14H9ClF2N2O3/c2*20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;19-12-8-15-14(26-18(20,21)27-15)7-11(12)10-4-5-16(22-9-10)23-17(24)13-3-1-2-6-25-13;17-10-5-13-12(24-16(18,19)25-13)4-9(10)11-6-21-14(7-20-11)22-15(23)8-2-1-3-8;1-2-3-14(22)21-13-7-19-10(6-20-13)8-4-11-12(5-9(8)16)24-15(17,18)23-11;1-22-7-14(21)20-13-3-2-8(6-19-13)9-4-11-12(5-10(9)16)24-15(17,18)23-11;1-7(20)19-13-3-2-8(6-18-13)9-4-11-12(5-10(9)15)22-14(16,17)21-11/h2*6-11H,1-5H2,(H,23,24,25);4-5,7-9,13H,1-3,6H2,(H,22,23,24);4-8H,1-3H2,(H,21,22,23);4-7H,2-3H2,1H3,(H,20,21,22);2-6H,7H2,1H3,(H,19,20,21);2-6H,1H3,(H,18,19,20)
InChIKeyQUSBEWZYDRUJBB-UHFFFAOYSA-N
XLogP29.42
TPSA467.39 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002593.25
LogP ≤ 529.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide 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)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide (CID 160524481) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide is CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?
The InChIKey is QUSBEWZYDRUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17ClF2N2O3.C18H15ClF2N2O4.C16H12ClF2N3O3.C15H12ClF2N3O3.C15H11ClF2N2O4.C14H9ClF2N2O3/c2*20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;19-12-8-15-14(26-18(20,21)27-15)7-11(12)10-4-5-16(22-9-10)23-17(24)13-3-1-2-6-25-13;17-10-5-13-12(24-16(18,19)25-13)4-9(10)11-6-21-14(7-20-11)22-15(23)8-2-1-3-8;1-2-3-14(22)21-13-7-19-10(6-20-13)8-4-11-12(5-9(8)16)24-15(17,18)23-11;1-22-7-14(21)20-13-3-2-8(6-19-13)9-4-11-12(5-10(9)16)24-15(17,18)23-11;1-7(20)19-13-3-2-8(6-18-13)9-4-11-12(5-10(9)15)22-14(16,17)21-11/h2*6-11H,1-5H2,(H,23,24,25);4-5,7-9,13H,1-3,6H2,(H,22,23,24);4-8H,1-3H2,(H,21,22,23);4-7H,2-3H2,1H3,(H,20,21,22);2-6H,7H2,1H3,(H,19,20,21);2-6H,1H3,(H,18,19,20).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide has a molecular weight of 2593.25 g/mol, XLogP of 29.42, 22 rotatable bonds, 7 hydrogen bond donors, and 32 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]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide is sourced from PubChem (CID 160524481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).