N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide

C109H70F34N18O6 — CID 159183784

IUPACN-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide
SMILESCc1cccc(F)c1C(=O)Nc1cc(F)c(-c2cn(C)nc2C(F)(F)F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2c(F)cccc2F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2ccccc2F)cc1F.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2ccc(NC(=O)c3c(F)cccc3F)c(F)c2F)c(C(F)(F)F)n1
InChIInChI=1S/C19H13F6N3O.3C18H10F7N3O.C18H13F4N3O.C18H14F3N3O/c1-9-4-3-5-12(20)16(9)18(29)26-15-7-13(21)10(6-14(15)22)11-8-28(2)27-17(11)19(23,24)25;2*1-28-7-9(16(27-28)18(23,24)25)8-5-13(22)14(6-12(8)21)26-17(29)15-10(19)3-2-4-11(15)20;1-28-7-9(16(27-28)18(23,24)25)8-5-6-12(15(22)14(8)21)26-17(29)13-10(19)3-2-4-11(13)20;1-9-11(8-25(2)24-9)10-6-15(22)16(7-14(10)21)23-18(26)17-12(19)4-3-5-13(17)20;1-10-13(9-24(2)23-10)12-7-16(21)17(8-15(12)20)22-18(25)11-5-3-4-6-14(11)19/h3-8H,1-2H3,(H,26,29);3*2-7H,1H3,(H,26,29);3-8H,1-2H3,(H,23,26);3-9H,1-2H3,(H,22,25)
InChIKeyKNFMRCJONIGDHQ-UHFFFAOYSA-N
MW2373.81 g/mol
LogP28.10
Rot. Bonds18

About N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide

N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide (PubChem CID 159183784) has the molecular formula C109H70F34N18O6 and a molecular weight of 2373.81 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide
PubChem CID159183784
Molecular FormulaC109H70F34N18O6
Molecular Weight2373.81 g/mol
Exact Mass2372.52
IUPAC NameN-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide
SMILESCc1cccc(F)c1C(=O)Nc1cc(F)c(-c2cn(C)nc2C(F)(F)F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2c(F)cccc2F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2ccccc2F)cc1F.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2ccc(NC(=O)c3c(F)cccc3F)c(F)c2F)c(C(F)(F)F)n1
InChIInChI=1S/C19H13F6N3O.3C18H10F7N3O.C18H13F4N3O.C18H14F3N3O/c1-9-4-3-5-12(20)16(9)18(29)26-15-7-13(21)10(6-14(15)22)11-8-28(2)27-17(11)19(23,24)25;2*1-28-7-9(16(27-28)18(23,24)25)8-5-13(22)14(6-12(8)21)26-17(29)15-10(19)3-2-4-11(15)20;1-28-7-9(16(27-28)18(23,24)25)8-5-6-12(15(22)14(8)21)26-17(29)13-10(19)3-2-4-11(13)20;1-9-11(8-25(2)24-9)10-6-15(22)16(7-14(10)21)23-18(26)17-12(19)4-3-5-13(17)20;1-10-13(9-24(2)23-10)12-7-16(21)17(8-15(12)20)22-18(25)11-5-3-4-6-14(11)19/h3-8H,1-2H3,(H,26,29);3*2-7H,1H3,(H,26,29);3-8H,1-2H3,(H,23,26);3-9H,1-2H3,(H,22,25)
InChIKeyKNFMRCJONIGDHQ-UHFFFAOYSA-N
XLogP28.10
TPSA281.52 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002373.81
LogP ≤ 528.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide?
The IUPAC name of N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide (CID 159183784) is N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide is Cc1cccc(F)c1C(=O)Nc1cc(F)c(-c2cn(C)nc2C(F)(F)F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2c(F)cccc2F)cc1F.Cc1nn(C)cc1-c1cc(F)c(NC(=O)c2ccccc2F)cc1F.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cccc3F)cc2F)c(C(F)(F)F)n1.Cn1cc(-c2ccc(NC(=O)c3c(F)cccc3F)c(F)c2F)c(C(F)(F)F)n1.
What is the InChIKey of N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide?
The InChIKey is KNFMRCJONIGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O.3C18H10F7N3O.C18H13F4N3O.C18H14F3N3O/c1-9-4-3-5-12(20)16(9)18(29)26-15-7-13(21)10(6-14(15)22)11-8-28(2)27-17(11)19(23,24)25;2*1-28-7-9(16(27-28)18(23,24)25)8-5-13(22)14(6-12(8)21)26-17(29)15-10(19)3-2-4-11(15)20;1-28-7-9(16(27-28)18(23,24)25)8-5-6-12(15(22)14(8)21)26-17(29)13-10(19)3-2-4-11(13)20;1-9-11(8-25(2)24-9)10-6-15(22)16(7-14(10)21)23-18(26)17-12(19)4-3-5-13(17)20;1-10-13(9-24(2)23-10)12-7-16(21)17(8-15(12)20)22-18(25)11-5-3-4-6-14(11)19/h3-8H,1-2H3,(H,26,29);3*2-7H,1H3,(H,26,29);3-8H,1-2H3,(H,23,26);3-9H,1-2H3,(H,22,25).
What are the key properties of N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide?
N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide has a molecular weight of 2373.81 g/mol, XLogP of 28.10, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide is sourced from PubChem (CID 159183784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).