2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
C151H118Cl3F7N22O10S2 — CID 158874073
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
SMILESCCN(c1cccc(NC(=O)c2c(F)cccc2F)c1)c1cc2[nH]ncc2cc1C.Cc1cc2c(cc1N(C)c1cccc(NC(=O)c3c(F)cccc3F)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3Cl)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C23H20F2N4O.C23H19F2N3O.C22H17ClN2OS.C22H17FN2OS.C21H16ClN3O2.C20H15ClN4O2.C20H14F2N4O2/c1-3-29(21-12-20-15(10-14(21)2)13-26-28-20)17-7-4-6-16(11-17)27-23(30)22-18(24)8-5-9-19(22)25;1-14-9-15-12-26-13-16(15)10-21(14)28(2)18-6-3-5-17(11-18)27-23(29)22-19(24)7-4-8-20(22)25;2*1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-26(18)10-17(12)28-14-5-2-4-13(9-14)25-20(27)19-15(21)6-3-7-16(19)22/h4-13H,3H2,1-2H3,(H,26,28)(H,27,30);3-11,13H,12H2,1-2H3,(H,27,29);2*2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11H,1H3,(H,25,27)
InChIKeyJCFFJCOMGMMQMV-UHFFFAOYSA-N
MW2704.23 g/mol
LogP36.91
Rot. Bonds29
About 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide (PubChem CID 158874073) has the molecular formula C151H118Cl3F7N22O10S2 and a molecular weight of 2704.23 g/mol. Its IUPAC name is 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide |
|---|---|
| PubChem CID | 158874073 |
| Molecular Formula | C151H118Cl3F7N22O10S2 |
| Molecular Weight | 2704.23 g/mol |
| Exact Mass | 2700.78 |
| IUPAC Name | 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide |
| SMILES | CCN(c1cccc(NC(=O)c2c(F)cccc2F)c1)c1cc2[nH]ncc2cc1C.Cc1cc2c(cc1N(C)c1cccc(NC(=O)c3c(F)cccc3F)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3Cl)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1 |
| InChI | InChI=1S/C23H20F2N4O.C23H19F2N3O.C22H17ClN2OS.C22H17FN2OS.C21H16ClN3O2.C20H15ClN4O2.C20H14F2N4O2/c1-3-29(21-12-20-15(10-14(21)2)13-26-28-20)17-7-4-6-16(11-17)27-23(30)22-18(24)8-5-9-19(22)25;1-14-9-15-12-26-13-16(15)10-21(14)28(2)18-6-3-5-17(11-18)27-23(29)22-19(24)7-4-8-20(22)25;2*1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-26(18)10-17(12)28-14-5-2-4-13(9-14)25-20(27)19-15(21)6-3-7-16(19)22/h4-13H,3H2,1-2H3,(H,26,28)(H,27,30);3-11,13H,12H2,1-2H3,(H,27,29);2*2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11H,1H3,(H,25,27) |
| InChIKey | JCFFJCOMGMMQMV-UHFFFAOYSA-N |
| XLogP | 36.91 |
| TPSA | 392.69 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 195 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2704.23 |
| LogP ≤ 5 | 36.91 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide (CID 158874073) is 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide is CCN(c1cccc(NC(=O)c2c(F)cccc2F)c1)c1cc2[nH]ncc2cc1C.Cc1cc2c(cc1N(C)c1cccc(NC(=O)c3c(F)cccc3F)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3Cl)c1)C=NC2.Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The InChIKey is JCFFJCOMGMMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O.C23H19F2N3O.C22H17ClN2OS.C22H17FN2OS.C21H16ClN3O2.C20H15ClN4O2.C20H14F2N4O2/c1-3-29(21-12-20-15(10-14(21)2)13-26-28-20)17-7-4-6-16(11-17)27-23(30)22-18(24)8-5-9-19(22)25;1-14-9-15-12-26-13-16(15)10-21(14)28(2)18-6-3-5-17(11-18)27-23(29)22-19(24)7-4-8-20(22)25;2*1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-26(18)10-17(12)28-14-5-2-4-13(9-14)25-20(27)19-15(21)6-3-7-16(19)22/h4-13H,3H2,1-2H3,(H,26,28)(H,27,30);3-11,13H,12H2,1-2H3,(H,27,29);2*2-11,13H,12H2,1H3,(H,25,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide has a molecular weight of 2704.23 g/mol, XLogP of 36.91, 29 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide;2-chloro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[methyl-(6-methyl-1H-isoindol-5-yl)amino]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;N-[3-[ethyl-(5-methyl-1H-indazol-6-yl)amino]phenyl]-2,6-difluorobenzamide;2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide is sourced from PubChem (CID 158874073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158874073 — identifiers, structure, computed properties (public domain)
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