N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)

C122H78ClF24N15O18 — CID 158431701

IUPACN-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OCC(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/3C21H14F4N2O3.2C20H13F4N3O3.C19H10ClF4N3O3/c1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;20-10-5-14-15(30-19(23,24)8-29-14)4-9(10)13-6-26-16(7-25-13)27-18(28)17-11(21)2-1-3-12(17)22/h3*2-9H,10H2,1H3,(H,26,27,28);2*2-8H,9H2,1H3,(H,26,27,28);1-7H,8H2,(H,26,27,28)
InChIKeyHBSRYZHXEAQRQJ-UHFFFAOYSA-N
MW2533.46 g/mol
LogP28.24
Rot. Bonds18

About N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)

N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) (PubChem CID 158431701) has the molecular formula C122H78ClF24N15O18 and a molecular weight of 2533.46 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide).

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)
PubChem CID158431701
Molecular FormulaC122H78ClF24N15O18
Molecular Weight2533.46 g/mol
Exact Mass2531.50
IUPAC NameN-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OCC(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/3C21H14F4N2O3.2C20H13F4N3O3.C19H10ClF4N3O3/c1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;20-10-5-14-15(30-19(23,24)8-29-14)4-9(10)13-6-26-16(7-25-13)27-18(28)17-11(21)2-1-3-12(17)22/h3*2-9H,10H2,1H3,(H,26,27,28);2*2-8H,9H2,1H3,(H,26,27,28);1-7H,8H2,(H,26,27,28)
InChIKeyHBSRYZHXEAQRQJ-UHFFFAOYSA-N
XLogP28.24
TPSA401.37 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002533.46
LogP ≤ 528.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyridin-2-yl]-2,6-difluorobenzamide
CID 58486914
N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 58486934
N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 58487020
2-chloro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
CID 58487057
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2-fluorobenzamide
CID 58487147
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 58487175
N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyridin-2-yl]-2,6-difluorobenzamide
CID 58487248
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 68200715
N-[5-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 118343575
N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 123620436
2-[[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)pyrazin-2-yl]amino]-1-(2,6-difluorophenyl)ethanone
CID 123815320
N-[5-(6-chloro-3,3-difluoro-2H-1,4-benzodioxin-7-yl)-2-pyridinyl]-2,6-difluorobenzamide;ethane
CID 144274544

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) (CID 158431701) is N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide).
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.O=C(Nc1cnc(-c2cc3c(cc2Cl)OCC(F)(F)O3)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)?
The InChIKey is HBSRYZHXEAQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H14F4N2O3.2C20H13F4N3O3.C19H10ClF4N3O3/c1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;20-10-5-14-15(30-19(23,24)8-29-14)4-9(10)13-6-26-16(7-25-13)27-18(28)17-11(21)2-1-3-12(17)22/h3*2-9H,10H2,1H3,(H,26,27,28);2*2-8H,9H2,1H3,(H,26,27,28);1-7H,8H2,(H,26,27,28).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide)?
N-[5-(6-chloro-2,2-difluoro-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) has a molecular weight of 2533.46 g/mol, XLogP of 28.24, 18 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-3H-1,4-benzodioxin-7-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide) is sourced from PubChem (CID 158431701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).